N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-3-fluoro-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-3-fluoro-4-methylbenzamide
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-3-fluoro-4-methylbenzamide
Compound characteristics
| Compound ID: | F880-0345 |
| Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-3-fluoro-4-methylbenzamide |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C23 H17 Cl F N3 O2 S |
| Smiles: | Cc1ccc(cc1F)C(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0636 |
| logD: | 4.0623 |
| logSw: | -4.4507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.866 |
| InChI Key: | BUECCCZOEKRIOV-UHFFFAOYSA-N |