2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)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-hydroxy-3-methoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3947-1912 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 508.02 |
| Molecular Formula: | C25 H18 Cl N3 O3 S2 |
| Smiles: | COc1cc(\C=C2/C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2nc3ccccc3s2)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 6.0858 |
| logD: | 6.0809 |
| logSw: | -5.9906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.759 |
| InChI Key: | XGJZTBWYHSEEEA-UHFFFAOYSA-N |