N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzyl-N'-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzyl-N'-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzyl-N'-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Compound characteristics
| Compound ID: | 4770-1646 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzyl-N'-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea |
| Molecular Weight: | 462.39 |
| Molecular Formula: | C21 H20 F6 N2 O3 |
| Smiles: | CCC(C(F)(F)F)(C(F)(F)F)NC(N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2393 |
| logD: | 4.7703 |
| logSw: | -5.0446 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.377 |
| InChI Key: | NJTWILPUTSPVKV-UHFFFAOYSA-N |