3-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1774 |
| Compound Name: | 3-methyl-N-[3-(methylsulfanyl)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C17 H18 N2 O3 S3 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1cccc(c1)SC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5404 |
| logD: | 3.5035 |
| logSw: | -3.7406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.097 |
| InChI Key: | JOEKOSVZLIZKOP-LLVKDONJSA-N |