N-butyl-N-methyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-butyl-N-methyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-butyl-N-methyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0131 |
| Compound Name: | N-butyl-N-methyl-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H17 F3 N2 O3 |
| Smiles: | CCCCN(C)C(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3121 |
| logD: | 2.8175 |
| logSw: | -3.7384 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.551 |
| InChI Key: | JXOATYQVYWVIQL-UHFFFAOYSA-N |