N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide
Compound characteristics
| Compound ID: | V022-6652 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide |
| Molecular Weight: | 489.5 |
| Molecular Formula: | C27 H24 F N3 O5 |
| Smiles: | CN(CC(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc2c(c1)OCO2)=O)C(c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1789 |
| logD: | 4.1789 |
| logSw: | -4.3737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.669 |
| InChI Key: | JQSBDHVSAJEMBX-QHCPKHFHSA-N |