4-cyano-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
Chemical Structure Depiction of
4-cyano-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
4-cyano-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide
Compound characteristics
| Compound ID: | V003-3084 |
| Compound Name: | 4-cyano-N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]benzamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | CCC(c1ccccc1)N1Cc2cc(ccc2OC(CC)C1=O)NC(c1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3565 |
| logD: | 5.3558 |
| logSw: | -5.4073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.014 |
| InChI Key: | GEACHPDSWNSNIJ-UHFFFAOYSA-N |