N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1656 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | CN(C)c1ccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4847 |
| logD: | 2.4739 |
| logSw: | -3.0234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.953 |
| InChI Key: | IWULFEQQRLFTIX-UHFFFAOYSA-N |