N-{[4-(dimethylamino)phenyl]methyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{[4-(dimethylamino)phenyl]methyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1856 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C19 H23 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCc1ccc(cc1)N(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1306 |
| logD: | 3.1198 |
| logSw: | -3.477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.01 |
| InChI Key: | DOTJRADOFAEKDL-CYBMUJFWSA-N |