1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-8297 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C31 H34 N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(C2CC(c3ccc4c(c3)OCO4)N(C(CN3CCN(CC3)Cc3ccccc3)=O)N=2)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2338 |
| logD: | 4.0948 |
| logSw: | -4.2825 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.421 |
| InChI Key: | BMWHBBOUOCHKQT-MHZLTWQESA-N |