2-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-0180 |
| Compound Name: | 2-(4-acetylphenyl)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OCc2ccccc2)C(N(c2ccc(cc2)C(C)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2689 |
| logD: | 4.2689 |
| logSw: | -4.6735 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.358 |
| InChI Key: | NTAPUXXWTAEBBS-UHFFFAOYSA-N |