N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1660 |
| Compound Name: | N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C16 H18 N2 O3 S3 |
| Smiles: | Cc1ccsc1CCNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9831 |
| logD: | 2.9829 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.008 |
| InChI Key: | LCGHDYVWLJCYGT-UHFFFAOYSA-N |