5-acetyl-N-{[4-(dimethylamino)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-{[4-(dimethylamino)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-{[4-(dimethylamino)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0324 |
| Compound Name: | 5-acetyl-N-{[4-(dimethylamino)phenyl]methyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCc1ccc(cc1)N(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2405 |
| logD: | 3.2297 |
| logSw: | -3.7223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.185 |
| InChI Key: | MUUODGOYZFWOKY-UHFFFAOYSA-N |