N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-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-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V003-3467 |
| Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C27 H27 F2 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc2c(CN(Cc3cc(cc(c3)F)F)C(C(C)O2)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2841 |
| logD: | 6.2841 |
| logSw: | -5.5584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.884 |
| InChI Key: | ASRMPEJNCUZHLB-KRWDZBQOSA-N |