5-acetyl-N-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0078 |
| Compound Name: | 5-acetyl-N-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C17 H17 N3 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1481 |
| logD: | 1.4439 |
| logSw: | -3.664 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.653 |
| InChI Key: | DJTRENJTIIIGSR-UHFFFAOYSA-N |