N-(4-fluoro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-fluoro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-fluoro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0090 |
| Compound Name: | N-(4-fluoro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C15 H12 F N3 O5 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(Nc1ccc(c(c1)[N+]([O-])=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.393 |
| logD: | -0.7892 |
| logSw: | -3.0503 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.12 |
| InChI Key: | VBDKIHVNHFTQNZ-UHFFFAOYSA-N |