1-[5-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-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-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-2100 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C29 H29 F N4 O3 |
| Salt: | not_available |
| Smiles: | C1C(c2ccc3c(c2)OCO3)N(C(CN2CCN(CC2)Cc2ccccc2)=O)N=C1c1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3877 |
| logD: | 4.2487 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.247 |
| InChI Key: | YLTGIVWSNGCWIB-AREMUKBSSA-N |