N-(3-chloro-4-fluorophenyl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
N-(3-chloro-4-fluorophenyl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | F882-0257 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C23 H18 Cl F N4 O2 S |
| Smiles: | CC1C=CC2=NC(CSc3ccccc3NC(Nc3ccc(c(c3)[Cl])F)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7487 |
| logD: | 4.7484 |
| logSw: | -4.875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.077 |
| InChI Key: | KBQDIFWRZUDZDX-UHFFFAOYSA-N |