2-Imino-3-[(4-methylphenyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-A:2,3-D]pyrimidin-5-one
Basic information
- CAS
606954-87-4- Standard SMILES
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1- InChIKey
QZDBAWPPPATSJK-UHFFFAOYSA-N- Molecular formula
- C23H22N4O4S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.13617637
Names & identifiers
- Preferred name
- 2-Imino-3-[(4-methylphenyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-A:2,3-D]pyrimidin-5-one
- IUPAC
- 6-imino-5-(4-methylphenyl)sulfonyl-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- English name
- SALOR-INT L422282-1EA
- Molecular formula
- C23H22N4O4S
- Molecular weight
- 450.51
Names & synonyms
606954-87-42-IMINO-3-[(4-METHYLPHENYL)SULFONYL]-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE2-IMINO-3-((4-METHYLPHENYL)SULFONYL)-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDIN-5-ONERefChem:473619637-794-92-Imino-1-((tetrahydrofuran-2-yl)methyl)-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one2-imino-3-[(4-methylphenyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-oneSMR000072300Oprea1_225540MLS000088082CHEMBL1472002STK703648
Show more names
SALOR-INT L422282-1EA5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1,2-dihydro-2-imino-3-[(4-methylphenyl)sulfonyl]-1-[(tetrahydro-2-furanyl)methyl]-
AKOS001471197AKOS016055221Z577835162-imino-3-[(4-methylphenyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one6-imino-5-(4-methylphenyl)sulfonyl-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 619.8 · 619.8±65.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 6.27 · 6.27±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- 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-H315-H319
- 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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