N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0443 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C22 H25 N3 O4 S3 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)NC(C(CC(N1CCCC1)=O)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0394 |
| logD: | 3.0025 |
| logSw: | -3.5101 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.584 |
| InChI Key: | WPOOSVZNVRHLAG-OAHLLOKOSA-N |