N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | C097-0347 |
| Compound Name: | N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 439.24 |
| Molecular Formula: | C16 H11 Cl2 F3 N2 O3 S |
| Smiles: | CSc1ccccc1NC(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2829 |
| logD: | 4.9316 |
| logSw: | -5.8996 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.935 |
| InChI Key: | IFEXUELVHJBDBD-UHFFFAOYSA-N |