N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V010-5887 |
| Compound Name: | N-[2-ethyl-3-oxo-4-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-4-nitrobenzamide |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C26 H25 N3 O6 |
| Smiles: | CCC1C(N(CCOc2ccccc2)Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8398 |
| logD: | 4.8395 |
| logSw: | -4.5949 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.644 |
| InChI Key: | MREPYJZFOHHGIF-HSZRJFAPSA-N |