N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2785 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C18 H20 N2 O3 S3 |
| Smiles: | CSc1ccc(CCNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2799 |
| logD: | 3.2796 |
| logSw: | -3.6337 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.99 |
| InChI Key: | RCUFPVWLZOXRRD-UHFFFAOYSA-N |