4-propoxyphenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
4-propoxyphenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
4-propoxyphenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | K833-0178 |
Compound Name: | 4-propoxyphenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
Molecular Weight: | 452.5 |
Molecular Formula: | C24 H21 F N2 O4 S |
Smiles: | CCCOc1ccc(cc1)OC(c1c(C)c2C(N(Cc3cccc(c3)F)C=Nc2s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8388 |
logD: | 4.8388 |
logSw: | -4.841 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.037 |
InChI Key: | VYVRKBCPKPMNCG-UHFFFAOYSA-N |