3-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
3-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | V013-6826 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 603.53 |
| Molecular Formula: | C32 H21 F4 N3 O5 |
| Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc(cc2)C(F)(F)F)=O)c(c2ccc3c(c2)OCO3)nn1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 7.0016 |
| logD: | 7.0015 |
| logSw: | -5.7826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.781 |
| InChI Key: | QSBFIGYNISFWOW-UHFFFAOYSA-N |