4-[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
4-[4-({3-methoxy-4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[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: | 4588-0063 |
| Compound Name: | 4-[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: | 462.48 |
| Molecular Formula: | C24 H18 N2 O6 S |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OC(c2cccs2)=O)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4482 |
| logD: | 2.053 |
| logSw: | -4.4989 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.108 |
| InChI Key: | LAQIFBSAUCRPMK-UHFFFAOYSA-N |