N-{4-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea
N-{4-[(2-fluorophenyl)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: | V003-4959 |
Compound Name: | N-{4-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-[4-(propan-2-yl)phenyl]urea |
Molecular Weight: | 461.54 |
Molecular Formula: | C27 H28 F N3 O3 |
Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc2c(CN(Cc3ccccc3F)C(C(C)O2)=O)c1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2976 |
logD: | 6.2976 |
logSw: | -5.5321 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.884 |
InChI Key: | PAUCXKHHEHHOAZ-SFHVURJKSA-N |