4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
Compound ID: | 2083-1753 |
Compound Name: | 4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 477.36 |
Molecular Formula: | C25 H21 Br N2 O3 |
Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OCc2ccccc2)C(N(c2cccc(c2)[Br])N=1)=O |
Stereo: | ACHIRAL |
logP: | 5.5253 |
logD: | 5.5252 |
logSw: | -5.5373 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.531 |
InChI Key: | CCZUGABTAPQABJ-UHFFFAOYSA-N |