2-{[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methylidene}-1-benzothiophen-3(2H)-one
2-{[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 5408-3381 |
| Compound Name: | 2-{[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C21 H18 N2 O S |
| Smiles: | Cc1ccc(cc1)n1c(C)c(/C=C2/C(c3ccccc3S2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6477 |
| logD: | 4.6477 |
| logSw: | -4.6297 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8179 |
| InChI Key: | BLHNHTGFSITHDU-UHFFFAOYSA-N |