1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(2-fluorophenyl)piperazin-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-(2-fluorophenyl)piperazin-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-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V014-7565 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C28 H26 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | C1C(c2ccc3c(c2)OCO3)N(C(CN2CCN(CC2)c2ccccc2F)=O)N=C1c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1779 |
| logD: | 5.1771 |
| logSw: | -5.4695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.666 |
| InChI Key: | RNKIYROFQRZSTQ-RUZDIDTESA-N |