N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V028-6832 |
| Compound Name: | N-{4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C25 H23 N3 O7 |
| Smiles: | COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(c2ccc(cc2)[N+]([O-])=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2833 |
| logD: | 3.283 |
| logSw: | -3.5865 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.224 |
| InChI Key: | WONIHFUUTYSZND-UHFFFAOYSA-N |