4-chloro-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-chloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
4-chloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
Compound characteristics
| Compound ID: | V003-5173 |
| Compound Name: | 4-chloro-N-{2-ethyl-4-[(2-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide |
| Molecular Weight: | 452.91 |
| Molecular Formula: | C25 H22 Cl F N2 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1ccc(cc1)[Cl])=O)Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5578 |
| logD: | 5.5563 |
| logSw: | -5.969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.866 |
| InChI Key: | TXYCSCCQSOPRGS-JOCHJYFZSA-N |