methyl 3-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 3-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
methyl 3-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 3697-0179 |
| Compound Name: | methyl 3-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C24 H19 Cl N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3cccc(c3)C(=O)OC)o2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9726 |
| logD: | 5.9726 |
| logSw: | -6.2724 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.331 |
| InChI Key: | OBYUIUKQASODNT-UHFFFAOYSA-N |