N-(butan-2-yl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(butan-2-yl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0243 |
| Compound Name: | N-(butan-2-yl)-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 338.71 |
| Molecular Formula: | C13 H14 Cl F3 N2 O3 |
| Smiles: | CCC(C)NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5885 |
| logD: | 3.3555 |
| logSw: | -3.957 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.668 |
| InChI Key: | NNIIJBBLKLLOQE-UHFFFAOYSA-N |