4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl acetate
4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2083-0071 |
| Compound Name: | 4-{[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 419.26 |
| Molecular Formula: | C20 H16 Cl2 N2 O4 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OC(C)=O)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4431 |
| logD: | 4.4431 |
| logSw: | -4.8281 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.055 |
| InChI Key: | LKGGYLSLCWYXAE-UHFFFAOYSA-N |