6-ethyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-ethyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
6-ethyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4408-0036 |
| Compound Name: | 6-ethyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | CCc1cc2C(N(CC=C)C(=Nc2s1)SCC(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2439 |
| logD: | 4.2439 |
| logSw: | -4.3356 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.714 |
| InChI Key: | KJEBGDKQNQTFMI-UHFFFAOYSA-N |