N-cyclopentyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-cyclopentyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-cyclopentyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0098 |
| Compound Name: | N-cyclopentyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 316.28 |
| Molecular Formula: | C14 H15 F3 N2 O3 |
| Smiles: | C1CCC(C1)NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1246 |
| logD: | 2.967 |
| logSw: | -3.4721 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.046 |
| InChI Key: | UDEIBSQGKBCALL-UHFFFAOYSA-N |