N-(4-chloro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-chloro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0080 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C15 H12 Cl N3 O5 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7082 |
| logD: | -0.474 |
| logSw: | -3.5518 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.12 |
| InChI Key: | XXAXIDYQUNKBDQ-UHFFFAOYSA-N |