N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | L705-0520 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C20 H22 N2 O4 S3 |
| Smiles: | CC(CC(Nc1cccc(c1)SC)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7632 |
| logD: | 2.763 |
| logSw: | -3.4422 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.04 |
| InChI Key: | UYDLCLZXGBYEHX-ZDUSSCGKSA-N |