2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoic acid
2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 4410-1730 |
| Compound Name: | 2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 478.89 |
| Molecular Formula: | C25 H19 Cl N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C\c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5911 |
| logD: | 1.1608 |
| logSw: | -5.5772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.318 |
| InChI Key: | FTOCQRMUNLIJTF-UHFFFAOYSA-N |