N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V004-7799 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C25 H22 Cl N3 O5 |
| Smiles: | CCC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0572 |
| logD: | 5.0569 |
| logSw: | -5.3325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.248 |
| InChI Key: | JBYGQBZCVBGYTJ-QFIPXVFZSA-N |