N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide
Chemical Structure Depiction of
N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide
N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide
Compound characteristics
| Compound ID: | F881-0408 |
| Compound Name: | N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)benzenesulfonamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C22 H19 N3 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(CSc1ccccc1NS(c1ccccc1)(=O)=O)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.2968 |
| logD: | 3.265 |
| logSw: | -3.6721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.926 |
| InChI Key: | ZGTHEFCGZWWOKI-UHFFFAOYSA-N |