5-acetyl-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0154 |
| Compound Name: | 5-acetyl-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C20 H24 N2 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5606 |
| logD: | 4.5285 |
| logSw: | -4.2419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.271 |
| InChI Key: | YOTVNKJXVPJXMT-UHFFFAOYSA-N |