3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Chemical Structure Depiction of
3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid
Compound characteristics
| Compound ID: | 1652-1203 |
| Compound Name: | 3-(2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzoic acid |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | CC1\C(C(N(c2nc(cs2)c2ccc(cc2)OC)N=1)=O)=N/Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3693 |
| logD: | 2.2871 |
| logSw: | -5.4006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.063 |
| InChI Key: | JVFXCWDKQYFIHF-UHFFFAOYSA-N |