N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-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-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V005-0822 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 515.51 |
| Molecular Formula: | C25 H20 F3 N3 O4 S |
| Smiles: | CN(CC(N1C(CC(c2cccs2)=N1)c1ccc2c(c1)OCO2)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7666 |
| logD: | 4.7666 |
| logSw: | -4.6466 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.143 |
| InChI Key: | COGCZDAYLPMKCV-LJQANCHMSA-N |