N-[3-(methylsulfanyl)phenyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
N-[3-(methylsulfanyl)phenyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-0127 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C20 H21 N3 O4 S3 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)NC(C(C(N1CCCC1)=O)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1156 |
| logD: | 3.0787 |
| logSw: | -3.5516 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.78 |
| InChI Key: | RRXILNVDGMAPTH-SFHVURJKSA-N |