N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | V003-2229 |
| Compound Name: | N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C27 H26 Cl F N2 O4 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(Cc1cccc(c1)OC)=O)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5373 |
| logD: | 5.5372 |
| logSw: | -5.9603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.197 |
| InChI Key: | YUTLAPCGPCNXOL-DEOSSOPVSA-N |