N-(4-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
N-(4-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
Compound characteristics
| Compound ID: | C714-0046 |
| Compound Name: | N-(4-nitrophenyl)-2-(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | C1CSc2ccccc2N(CC(Nc2ccc(cc2)[N+]([O-])=O)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1661 |
| logD: | 3.1632 |
| logSw: | -3.5211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.481 |
| InChI Key: | JKYJOWDLGJTKMW-UHFFFAOYSA-N |