N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0057 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 426.7 |
| Molecular Formula: | C16 H9 Cl F6 N2 O3 |
| Smiles: | c1ccc2c(c1)OC(C(F)(F)F)(NC(Nc1ccc(cc1C(F)(F)F)[Cl])=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.2733 |
| logD: | 4.3984 |
| logSw: | -5.854 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.935 |
| InChI Key: | XIYLATCBRPQDMM-UHFFFAOYSA-N |