2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5742-0657 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C27 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)SCC1/C(=C\c2ccc(cc2OC)OC)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7424 |
| logD: | 6.7424 |
| logSw: | -5.6083 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.755 |
| InChI Key: | VLZZAQRGPWWZAR-UHFFFAOYSA-N |