N-(4-nitrophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(4-nitrophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0208 |
| Compound Name: | N-(4-nitrophenyl)-2-(4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | C1C(c2ccccc2)Sc2ccccc2N(CC(Nc2ccc(cc2)[N+]([O-])=O)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7477 |
| logD: | 4.7448 |
| logSw: | -4.678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.209 |
| InChI Key: | DKGHEOUBHWKEEO-NRFANRHFSA-N |