4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V016-8596 |
| Compound Name: | 4-cyano-N-{4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C26 H23 N3 O4 |
| Smiles: | CC1C(N(Cc2ccccc2OC)Cc2cc(ccc2O1)NC(c1ccc(C#N)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7749 |
| logD: | 3.7742 |
| logSw: | -4.1371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.359 |
| InChI Key: | AODSJANTZWJJEW-KRWDZBQOSA-N |