N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2821 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 427.34 |
| Molecular Formula: | C16 H15 Br N2 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCc1cccc(c1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1475 |
| logD: | 3.147 |
| logSw: | -3.5037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.148 |
| InChI Key: | QWZKCACYLZHVMH-UHFFFAOYSA-N |