N-{3-chloro-4-[(pyridin-2-yl)sulfanyl]phenyl}-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
N-{3-chloro-4-[(pyridin-2-yl)sulfanyl]phenyl}-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
N-{3-chloro-4-[(pyridin-2-yl)sulfanyl]phenyl}-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | 8018-5453 |
| Compound Name: | N-{3-chloro-4-[(pyridin-2-yl)sulfanyl]phenyl}-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C20 H16 Cl N3 O4 S2 |
| Smiles: | Cc1cc2c(cc1S(Nc1ccc(c(c1)[Cl])Sc1ccccn1)(=O)=O)NC(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7299 |
| logD: | 3.1111 |
| logSw: | -3.9542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.296 |
| InChI Key: | SMAGBMOOESQBMM-UHFFFAOYSA-N |