3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-5532 |
| Compound Name: | 3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-1-(1-methyl-1H-pyrazol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | Cn1c(ccn1)C(/C=C/c1ccc(c(CSc2ccccn2)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2586 |
| logD: | 3.2586 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.632 |
| InChI Key: | IZWDXINWYZEJMB-UHFFFAOYSA-N |