N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V003-5828 |
| Compound Name: | N-{4-[(2-methoxyphenyl)methyl]-2-methyl-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: | CC1C(N(Cc2ccccc2OC)Cc2cc(ccc2O1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0461 |
| logD: | 4.0459 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.684 |
| InChI Key: | FVZDRTYWMOAGQP-MRXNPFEDSA-N |