3-[(3-fluorophenyl)methyl]-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(3-fluorophenyl)methyl]-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(3-fluorophenyl)methyl]-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
Compound ID: | K821-0584 |
Compound Name: | 3-[(3-fluorophenyl)methyl]-N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
Molecular Weight: | 564.59 |
Molecular Formula: | C27 H18 F2 N4 O4 S2 |
Smiles: | Cc1c2C(N(Cc3cccc(c3)F)C=Nc2sc1C(Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.8567 |
logD: | 5.8084 |
logSw: | -5.612 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.442 |
InChI Key: | SZQCKQRMRLNWPC-UHFFFAOYSA-N |