1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-8294 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 517.03 |
| Molecular Formula: | C29 H29 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | C1C(c2ccc3c(c2)OCO3)N(C(CN2CCN(CC2)Cc2ccccc2)=O)N=C1c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6804 |
| logD: | 4.5414 |
| logSw: | -4.9216 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.247 |
| InChI Key: | AVNIUWWWVVVXST-AREMUKBSSA-N |