3-[1-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxyquinolin-2(1H)-one--acetic acid (1/1)
Chemical Structure Depiction of
3-[1-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxyquinolin-2(1H)-one--acetic acid (1/1)
3-[1-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxyquinolin-2(1H)-one--acetic acid (1/1)
Compound characteristics
| Compound ID: | Y700-0142 |
| Compound Name: | 3-[1-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxyquinolin-2(1H)-one--acetic acid (1/1) |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C26 H20 N4 O3 S |
| Salt: | CH3COOH |
| Smiles: | COc1ccc(cc1)C1CC(C2=C(c3ccccc3NC2=O)O)=NN1c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2705 |
| logD: | 2.1594 |
| logSw: | -4.9931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.947 |
| InChI Key: | DFCANYVZVUOCNG-NRFANRHFSA-N |