5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0192 |
| Compound Name: | 5-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C19 H23 N3 O5 S3 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCCc1ccc(cc1)S(N)(=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.677 |
| logD: | 1.6763 |
| logSw: | -2.5517 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.825 |
| InChI Key: | KWVRGCMVBRAMJS-UHFFFAOYSA-N |