N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
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}-N'-[4-(propan-2-yl)phenyl]urea
N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V003-2253 |
| Compound Name: | N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C28 H29 Cl F N3 O3 |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(Nc1ccc(cc1)C(C)C)=O)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5362 |
| logD: | 7.5362 |
| logSw: | -6.625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.078 |
| InChI Key: | BQLSMGWLJGKIFT-VWLOTQADSA-N |