4-[3-methyl-5-oxo-4-({4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid
Chemical Structure Depiction of
4-[3-methyl-5-oxo-4-({4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid
4-[3-methyl-5-oxo-4-({4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 8017-0078 |
| Compound Name: | 4-[3-methyl-5-oxo-4-({4-[(thiophene-2-carbonyl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C22 H16 N2 O6 S2 |
| Smiles: | CC1/C(=C\c2ccc(cc2)OC(c2cccs2)=O)C(N(c2ccc(cc2)S(O)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4889 |
| logD: | -12.2111 |
| logSw: | -2.4304 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.397 |
| InChI Key: | RLNSMEANMSZBHF-UHFFFAOYSA-N |