N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | C097-0195 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[2-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 404.79 |
| Molecular Formula: | C16 H12 Cl F3 N2 O3 S |
| Smiles: | CSc1ccccc1NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8292 |
| logD: | 4.5818 |
| logSw: | -5.0096 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.935 |
| InChI Key: | PMHGEJVMPFFRNC-INIZCTEOSA-N |