N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | C097-0349 |
| Compound Name: | N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 461.15 |
| Molecular Formula: | C16 H8 Cl2 F6 N2 O3 |
| Smiles: | c1cc(cc(c1)NC(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2696 |
| logD: | 5.9809 |
| logSw: | -6.6041 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.633 |
| InChI Key: | CRKLOCPWOONQJC-UHFFFAOYSA-N |