N-[2-(azepan-1-yl)ethyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-(azepan-1-yl)ethyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1846 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C18 H27 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCCN1CCCCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9082 |
| logD: | 2.148 |
| logSw: | -3.41 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.36 |
| InChI Key: | SEVIOBRYCHWADT-CQSZACIVSA-N |