N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-[4-(trifluoromethyl)phenyl]urea
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V005-8023 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 542.49 |
| Molecular Formula: | C27 H22 F4 N4 O4 |
| Smiles: | CN(CC(N1C(CC(c2ccc(cc2)F)=N1)c1ccc2c(c1)OCO2)=O)C(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3223 |
| logD: | 5.3222 |
| logSw: | -5.4632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.946 |
| InChI Key: | ROPDIDLEGJPTMJ-JOCHJYFZSA-N |