1-(2-Furylmethyl)-2-imino-8-methyl-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
Basic information
- CAS
606952-71-0- Standard SMILES
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(Cc3ccco3)c2=N)cc1- InChIKey
ZIIWXODEMBPKOX-UHFFFAOYSA-N- Molecular formula
- C24H20N4O4S
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.12052631
Names & identifiers
- Preferred name
- 1-(2-Furylmethyl)-2-imino-8-methyl-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
- IUPAC
- 7-(furan-2-ylmethyl)-6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- English name
- SALOR-INT L421049-1EA
- Molecular formula
- C24H20N4O4S
- Molecular weight
- 460.51
Names & synonyms
606952-71-01-(2-FURYLMETHYL)-2-IMINO-8-METHYL-3-[(4-METHYLPHENYL)SULFONYL]-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE1-(2-Furylmethyl)-2-imino-8-methyl-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-oneRefChem:422158638-666-51-(Furan-2-ylmethyl)-2-imino-8-methyl-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-oneOprea1_026465STK813699AKOS001655102Z577833941-(2-furylmethyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one1-(furan-2-ylmethyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Show more names
SALOR-INT L421049-1EA5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(2-furanylmethyl)-1,2-dihydro-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-
1-[(furan-2-yl)methyl]-2-imino-8-methyl-3-(4-methylbenzene-1-sulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one7-(furan-2-ylmethyl)-6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Boiling point
- 621.5 · 621.5±65.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 5.73 · 5.73±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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