4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1583 |
| Compound Name: | 4-oxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8048 |
| logD: | 3.7726 |
| logSw: | -3.9215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.04 |
| InChI Key: | BQLMMYNZDJLJII-UHFFFAOYSA-N |