2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3993-1792 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-5-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C24 H18 N2 O4 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c(cs2)c1ccccc1)SCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0864 |
| logD: | 5.0864 |
| logSw: | -5.2695 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.014 |
| InChI Key: | UIWZJZMYXUZOKS-UHFFFAOYSA-N |