1-[3-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
1-[3-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8020-5988 |
| Compound Name: | 1-[3-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H22 N2 O6 |
| Smiles: | CC(N1C(CC(c2ccc3c(c2)OCO3)=N1)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2319 |
| logD: | 3.2319 |
| logSw: | -3.2516 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.947 |
| InChI Key: | DSUSHVBFDNYXMR-INIZCTEOSA-N |