2-chloro-5-[4-({5-[4-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[4-({5-[4-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[4-({5-[4-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4169-2473 |
| Compound Name: | 2-chloro-5-[4-({5-[4-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 464.86 |
| Molecular Formula: | C24 H17 Cl N2 O6 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3)C(=O)OC)o2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0505 |
| logD: | 1.2474 |
| logSw: | -4.9165 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.739 |
| InChI Key: | BMQXELHGFSGGJK-UHFFFAOYSA-N |