N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-(3-methoxyphenyl)urea
Chemical Structure Depiction of
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-(3-methoxyphenyl)urea
N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | V003-2830 |
| Compound Name: | N-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-N'-(3-methoxyphenyl)urea |
| Molecular Weight: | 513.52 |
| Molecular Formula: | C27 H26 F3 N3 O4 |
| Smiles: | CCC1C(N(Cc2cccc(c2)C(F)(F)F)Cc2cc(ccc2O1)NC(Nc1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0106 |
| logD: | 6.0106 |
| logSw: | -5.6514 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.622 |
| InChI Key: | JPMPZCMRMYLPDD-QHCPKHFHSA-N |