N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-ethoxybenzamide
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-ethoxybenzamide
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-ethoxybenzamide
Compound characteristics
| Compound ID: | F880-0335 |
| Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-ethoxybenzamide |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C24 H20 Cl N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7631 |
| logD: | 3.763 |
| logSw: | -4.3466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.989 |
| InChI Key: | KGNRUKNMCIHUSG-UHFFFAOYSA-N |