5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3947-1908 |
| Compound Name: | 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 495 |
| Molecular Formula: | C26 H23 Cl N2 O4 S |
| Smiles: | COc1cc(/C=C2/C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2ccccc2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6732 |
| logD: | 5.6732 |
| logSw: | -6.0175 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.023 |
| InChI Key: | FOMQHARGWKIWQE-UHFFFAOYSA-N |