N-(4-bromo-3-methylphenyl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(4-bromo-3-methylphenyl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0172 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 451.62 |
| Molecular Formula: | C16 H11 Br Cl F3 N2 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9473 |
| logD: | 5.7481 |
| logSw: | -6.1797 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.633 |
| InChI Key: | GJHRVQBOQJOUJQ-INIZCTEOSA-N |