2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3947-1919 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C24 H16 Cl N3 O2 S2 |
| Smiles: | C(C1/C(=C\c2ccc(cc2)O)C(N(c2nc3ccccc3s2)N=1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2843 |
| logD: | 6.2819 |
| logSw: | -6.2121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.198 |
| InChI Key: | OIWMXPDESGIVNL-UHFFFAOYSA-N |