N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide
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-4-(trifluoromethyl)benzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V005-8032 |
| 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-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 527.47 |
| Molecular Formula: | C27 H21 F4 N3 O4 |
| Smiles: | CN(CC(N1C(CC(c2ccc(cc2)F)=N1)c1ccc2c(c1)OCO2)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9587 |
| logD: | 4.9587 |
| logSw: | -4.7057 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.125 |
| InChI Key: | ODYUIBCZKYWZFG-JOCHJYFZSA-N |