2-chloro-4-(5-{[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-4-(5-{[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-4-(5-{[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2082-0470 |
| Compound Name: | 2-chloro-4-(5-{[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 441.27 |
| Molecular Formula: | C22 H14 Cl2 N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(C(O)=O)c(c3)[Cl])o2)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.499 |
| logD: | 0.8535 |
| logSw: | -5.5779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.565 |
| InChI Key: | HRJJDUQGAXPDCP-UHFFFAOYSA-N |