1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)prop-2-en-1-one
1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-6740 |
| Compound Name: | 1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)prop-2-en-1-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | Cc1cc(C(/C=C/c2ccc(c(CSc3ccccn3)c2)OC)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3649 |
| logD: | 3.3649 |
| logSw: | -3.4914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.304 |
| InChI Key: | RDWBVQDIPZZUHT-UHFFFAOYSA-N |