4-(methoxycarbonyl)phenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
4-(methoxycarbonyl)phenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
4-(methoxycarbonyl)phenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K833-0121 |
| Compound Name: | 4-(methoxycarbonyl)phenyl 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C23 H17 F N2 O5 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3F)C=Nc2sc1C(=O)Oc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.323 |
| logD: | 4.323 |
| logSw: | -4.4922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.793 |
| InChI Key: | UEMKGBRTEDPGFI-UHFFFAOYSA-N |