N-(4-bromo-2,6-dimethylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(4-bromo-2,6-dimethylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(4-bromo-2,6-dimethylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0067 |
| Compound Name: | N-(4-bromo-2,6-dimethylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 431.21 |
| Molecular Formula: | C17 H14 Br F3 N2 O3 |
| Smiles: | Cc1cc(cc(C)c1NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9249 |
| logD: | 3.5552 |
| logSw: | -4.7282 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.237 |
| InChI Key: | JMKXBAZTCFLYOT-UHFFFAOYSA-N |