N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-methylbenzene-1-sulfonamide
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | F881-0171 |
| Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C22 H18 Cl N3 O3 S2 |
| Smiles: | Cc1ccccc1S(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4758 |
| logD: | 3.3351 |
| logSw: | -3.8415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.424 |
| InChI Key: | NYVNYSFBYHFRQX-UHFFFAOYSA-N |