2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0542 |
| Compound Name: | 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H15 F N2 O4 S2 |
| Smiles: | C(c1ccccc1F)N1C(=Nc2ccsc2C1=O)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9851 |
| logD: | 3.8028 |
| logSw: | -3.9795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.132 |
| InChI Key: | IYBYGYYAVLJTAQ-UHFFFAOYSA-N |