dimethyl 5-({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K821-0568 |
| Compound Name: | dimethyl 5-({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 509.51 |
| Molecular Formula: | C25 H20 F N3 O6 S |
| Smiles: | Cc1c2C(N(Cc3cccc(c3)F)C=Nc2sc1C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0505 |
| logD: | 4.0386 |
| logSw: | -4.3673 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.68 |
| InChI Key: | WGYQKKJTCNUJFO-UHFFFAOYSA-N |