5-acetyl-N-(4-chloro-3-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(4-chloro-3-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(4-chloro-3-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0038 |
| Compound Name: | 5-acetyl-N-(4-chloro-3-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C17 H16 Cl N3 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4641 |
| logD: | 0.2819 |
| logSw: | -3.8195 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.352 |
| InChI Key: | IYRBKHALHYTIJS-UHFFFAOYSA-N |