N-{2-ethyl-4-[2-(4-fluorophenyl)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-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V003-5196 |
| Compound Name: | N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C29 H32 F N3 O3 |
| Smiles: | CCC1C(N(CCc2ccc(cc2)F)Cc2cc(ccc2O1)NC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8362 |
| logD: | 6.8362 |
| logSw: | -5.6939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.057 |
| InChI Key: | HABDJGKJVOKVHN-SANMLTNESA-N |