N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
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}-3,4-dimethoxybenzamide
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V003-3067 |
| Compound Name: | N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 512.97 |
| Molecular Formula: | C27 H26 Cl F N2 O5 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(c(c1)OC)OC)=O)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1717 |
| logD: | 5.1717 |
| logSw: | -5.7423 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.127 |
| InChI Key: | GWVJVROBFHITMW-QFIPXVFZSA-N |