1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-8418 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C30 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc3c(c2)OCO3)N(C(CN2CCN(CC2)Cc2ccccc2)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2731 |
| logD: | 4.1341 |
| logSw: | -4.2725 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.791 |
| InChI Key: | IDVYZHVKJJESOJ-MHZLTWQESA-N |