4-(butoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
4-(butoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
4-(butoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K833-0192 |
| Compound Name: | 4-(butoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 494.54 |
| Molecular Formula: | C26 H23 F N2 O5 S |
| Smiles: | CCCCOC(c1ccc(cc1)OC(c1c(C)c2C(N(Cc3cccc(c3)F)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4656 |
| logD: | 5.4656 |
| logSw: | -5.4783 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.667 |
| InChI Key: | CAIAEYMSEXNJRT-UHFFFAOYSA-N |