4-[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4965-0076 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C27 H22 N2 O3 |
| Smiles: | CC1/C(=C(/C=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9171 |
| logD: | 5.9171 |
| logSw: | -5.6321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.431 |
| InChI Key: | YRHOSSYRHUPJNW-UHFFFAOYSA-N |