4-cyano-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
4-cyano-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
4-cyano-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V028-6741 |
| Compound Name: | 4-cyano-N-{4-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C27 H25 N3 O5 |
| Salt: | not_available |
| Smiles: | CC1C(N(Cc2cc(ccc2O1)NC(c1ccc(C#N)cc1)=O)Cc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6945 |
| logD: | 3.6938 |
| logSw: | -4.1141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.076 |
| InChI Key: | ZWVBORRICKYJSO-UHFFFAOYSA-N |