N-benzyl-3-methyl-4-oxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-benzyl-3-methyl-4-oxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-benzyl-3-methyl-4-oxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1768 |
| Compound Name: | N-benzyl-3-methyl-4-oxo-N-(propan-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C20 H24 N2 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N(Cc1ccccc1)C(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0877 |
| logD: | 4.0873 |
| logSw: | -4.1072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.605 |
| InChI Key: | NWCJKQWOYAGOMI-OAHLLOKOSA-N |