2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2393 |
| Compound Name: | 2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C19 H22 N2 O3 S3 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCc1ccc(cc1)SC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7206 |
| logD: | 3.7202 |
| logSw: | -4.0095 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.99 |
| InChI Key: | CBEQTCRXOACSLS-CYBMUJFWSA-N |