2-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0951 |
| Compound Name: | 2-(5-{[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C23 H17 Cl N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccccc3C(O)=O)o2)C(N(c2ccc(C)c(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2996 |
| logD: | 1.2468 |
| logSw: | -5.515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.565 |
| InChI Key: | YQHPCXQTAIARIZ-UHFFFAOYSA-N |