N-(3-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-cyanophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2692 |
| Compound Name: | N-(3-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(Nc1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2944 |
| logD: | 1.6141 |
| logSw: | -3.0617 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.096 |
| InChI Key: | DCWXMXDZZVHKLP-UHFFFAOYSA-N |