2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3,5-di-tert-butyl-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-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3947-1932 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 590.21 |
| Molecular Formula: | C32 H32 Cl N3 O2 S2 |
| Smiles: | CC(C)(C)c1cc(/C=C2/C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2nc3ccccc3s2)cc(c1O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 9.4679 |
| logD: | 9.4678 |
| logSw: | -6.0424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.06 |
| InChI Key: | WDYZZZUJKNQTLE-UHFFFAOYSA-N |