4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2703 |
| Compound Name: | 4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C17 H19 N3 O5 S3 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(NCCc1ccc(cc1)S(N)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9211 |
| logD: | 0.9204 |
| logSw: | -2.1841 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.593 |
| InChI Key: | NBEWKNQARSJLQB-UHFFFAOYSA-N |