3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
Compound ID: | 1485-0098 |
Compound Name: | 3-{4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one |
Molecular Weight: | 416.91 |
Molecular Formula: | C25 H21 Cl N2 O2 |
Smiles: | COc1ccc(cc1)C(/C=C/c1ccc(cc1)N1CCC(c2ccc(cc2)[Cl])=N1)=O |
Stereo: | ACHIRAL |
logP: | 5.9347 |
logD: | 5.9325 |
logSw: | -6.422 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 35.722 |
InChI Key: | IXZNAYHDLGJTCV-UHFFFAOYSA-N |