4-cyano-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Chemical Structure Depiction of
4-cyano-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
4-cyano-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V016-8454 |
| Compound Name: | 4-cyano-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C26 H22 F N3 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(C#N)cc1)=O)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6175 |
| logD: | 4.6168 |
| logSw: | -4.3629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.923 |
| InChI Key: | ZPMASOXEZCIUED-QHCPKHFHSA-N |