N-(4-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2687 |
| Compound Name: | N-(4-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C16 H13 N3 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(Nc1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.121 |
| logD: | 1.0774 |
| logSw: | -3.0612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.096 |
| InChI Key: | XGKNKZNEFLYDDS-UHFFFAOYSA-N |