N-(4-nitrophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(4-nitrophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0196 |
| Compound Name: | N-(4-nitrophenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | C1C(c2ccccc2)S(c2ccccc2N(CC(Nc2ccc(cc2)[N+]([O-])=O)=O)C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4302 |
| logD: | 3.4273 |
| logSw: | -3.8012 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.189 |
| InChI Key: | OWWSXQLCNCQYND-NRFANRHFSA-N |