N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-N'-(3-methylphenyl)urea
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-N'-(3-methylphenyl)urea
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-N'-(3-methylphenyl)urea
Compound characteristics
Compound ID: | F882-0170 |
Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-N'-(3-methylphenyl)urea |
Molecular Weight: | 450.95 |
Molecular Formula: | C23 H19 Cl N4 O2 S |
Smiles: | Cc1cccc(c1)NC(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2073 |
logD: | 4.2073 |
logSw: | -4.5038 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.077 |
InChI Key: | VGJRHPVYTNKUOA-UHFFFAOYSA-N |