2-chloro-5-[4-({3-methoxy-4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[4-({3-methoxy-4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[4-({3-methoxy-4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4588-0074 |
| Compound Name: | 2-chloro-5-[4-({3-methoxy-4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 496.92 |
| Molecular Formula: | C24 H17 Cl N2 O6 S |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OC(c2cccs2)=O)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7832 |
| logD: | 0.9801 |
| logSw: | -4.7699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.108 |
| InChI Key: | SAHKSEFQZXLSHC-UHFFFAOYSA-N |