5-acetyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0136 |
| Compound Name: | 5-acetyl-N-[3-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C18 H20 N2 O3 S3 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6503 |
| logD: | 3.6134 |
| logSw: | -3.8814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.271 |
| InChI Key: | SYEWHWXRHBLGEH-UHFFFAOYSA-N |