N-propyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-propyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-propyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0085 |
| Compound Name: | N-propyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 290.24 |
| Molecular Formula: | C12 H13 F3 N2 O3 |
| Smiles: | CCCNC(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6519 |
| logD: | 2.3045 |
| logSw: | -3.1116 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.068 |
| InChI Key: | LAMONIBAUNQRFZ-UHFFFAOYSA-N |