N-(2-bromo-4-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(2-bromo-4-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0048 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 417.18 |
| Molecular Formula: | C16 H12 Br F3 N2 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.75 |
| logD: | 3.5485 |
| logSw: | -4.6079 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.935 |
| InChI Key: | YDISGEMBYDYIFD-UHFFFAOYSA-N |