4,4'-[(3,4-dimethoxyphenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
Chemical Structure Depiction of
4,4'-[(3,4-dimethoxyphenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
4,4'-[(3,4-dimethoxyphenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one]
Compound characteristics
| Compound ID: | Y509-0182 |
| Compound Name: | 4,4'-[(3,4-dimethoxyphenyl)methylene]bis[2-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one] |
| Molecular Weight: | 610.71 |
| Molecular Formula: | C31 H26 N6 O4 S2 |
| Smiles: | CC1=C(C(C2=C(C)NN(C2=O)c2nc3ccccc3s2)c2ccc(c(c2)OC)OC)C(N(c2nc3ccccc3s2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4479 |
| logD: | 5.4168 |
| logSw: | -5.548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.329 |
| InChI Key: | CZFMXWKLQDXIJJ-UHFFFAOYSA-N |