4-(methoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
4-(methoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
4-(methoxycarbonyl)phenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K833-0191 |
| Compound Name: | 4-(methoxycarbonyl)phenyl 3-[(3-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(Cc3cccc(c3)F)C=Nc2sc1C(=O)Oc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9702 |
| logD: | 3.9702 |
| logSw: | -4.3818 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.793 |
| InChI Key: | GLACVAGOOSASHR-UHFFFAOYSA-N |