N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V003-6199 |
| Compound Name: | N-{4-[2-(4-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C25 H23 N3 O6 |
| Smiles: | COc1ccc(CCN2Cc3cc(ccc3OCC2=O)NC(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3365 |
| logD: | 3.3363 |
| logSw: | -3.6105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.572 |
| InChI Key: | UXUHQEXVJPEVJD-UHFFFAOYSA-N |