N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide
Compound characteristics
| Compound ID: | F881-0204 |
| Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C21 H16 Cl N3 O3 S2 |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)Sc1ccccc1NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1277 |
| logD: | 3.0959 |
| logSw: | -3.6286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.424 |
| InChI Key: | NCSQZGBOPPNCJU-UHFFFAOYSA-N |