2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0588 |
| Compound Name: | 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C20 H13 F N2 O4 S2 |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)SC1=Nc2ccsc2C(N1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3981 |
| logD: | 3.2158 |
| logSw: | -3.5898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.521 |
| InChI Key: | MOMHPOFSVRZZDY-UHFFFAOYSA-N |