N-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-[4-(propan-2-yl)phenyl]urea
Chemical Structure Depiction of
N-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-[4-(propan-2-yl)phenyl]urea
N-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V004-7782 |
| Compound Name: | N-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 497.52 |
| Molecular Formula: | C27 H26 F3 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC(Nc1ccc2c(CN(Cc3cccc(c3)C(F)(F)F)C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.867 |
| logD: | 5.867 |
| logSw: | -5.7367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.88 |
| InChI Key: | SBBOQBYUEFVHCV-UHFFFAOYSA-N |