1-(2-Furylmethyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
Basic information
- CAS
606951-74-0- Standard SMILES
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1- InChIKey
FARMGZOKGMKZCG-UHFFFAOYSA-N- Molecular formula
- C22H16N4O4S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.08922618
Names & identifiers
- Preferred name
- 1-(2-Furylmethyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
- IUPAC
- 5-(benzenesulfonyl)-7-(furan-2-ylmethyl)-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- English name
- SALOR-INT L442127-1EA
- Molecular formula
- C22H16N4O4S
- Molecular weight
- 432.45
Names & synonyms
606951-74-01-(2-FURYLMETHYL)-2-IMINO-3-(PHENYLSULFONYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE1-(2-Furylmethyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-oneRefChem:422157644-453-81-(Furan-2-ylmethyl)-2-imino-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-oneMLS000033902SMR0000136613-Benzenesulfonyl-1-furan-2-ylmethyl-2-imino-1,2-dihydro-1,9,10a-triaza-anthracen-10-oneregid853657ChemDiv3_004828MLS001385127
Show more names
SALOR-INT L442127-1EA5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(2-furanylmethyl)-1,2-dihydro-2-imino-3-(phenylsulfonyl)-
cid_656318CHEMBL1479811BDBM29617HMS1486L10HMS2325H20NSC814043STK703608AKOS000526867
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 612.7 · 612.7±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 5.69 · 5.69±0.40(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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…