methyl 4-(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 4-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
methyl 4-(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: | 4169-2469 |
| Compound Name: | methyl 4-(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(c3ccc(cc3)C(=O)OC)o2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1269 |
| logD: | 6.1269 |
| logSw: | -6.2988 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.331 |
| InChI Key: | VRDIRVQEWZZLEI-UHFFFAOYSA-N |