N-(3-chloro-4-methylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
N-(3-chloro-4-methylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | F882-0387 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C23 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0425 |
| logD: | 5.0424 |
| logSw: | -5.1941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.558 |
| InChI Key: | LJRSSKLYJUNRKJ-UHFFFAOYSA-N |