5-acetyl-N-(4-cyanophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(4-cyanophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(4-cyanophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0137 |
| Compound Name: | 5-acetyl-N-(4-cyanophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C18 H17 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8769 |
| logD: | 1.8333 |
| logSw: | -3.6183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.327 |
| InChI Key: | GBRRYUBYXAZJHZ-UHFFFAOYSA-N |