N-butyl-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-butyl-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-butyl-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0241 |
| Compound Name: | N-butyl-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: | CCCCNC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0437 |
| logD: | 3.5684 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.068 |
| InChI Key: | PZDMOXAQBUEUDC-ZDUSSCGKSA-N |