N-butyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-butyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-butyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0086 |
| Compound Name: | N-butyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 304.27 |
| Molecular Formula: | C13 H15 F3 N2 O3 |
| Smiles: | CCCCNC(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2386 |
| logD: | 2.8912 |
| logSw: | -3.5248 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.068 |
| InChI Key: | JKHQQJHMXHTDKD-UHFFFAOYSA-N |