3-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K840-0460 |
| Compound Name: | 3-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C22 H17 F N4 O5 S |
| Smiles: | Cc1c2C(N(Cc3cccc(c3)F)C=Nc2sc1C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3514 |
| logD: | 1.9681 |
| logSw: | -3.7648 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.646 |
| InChI Key: | UGWREKUAPZJJRX-UHFFFAOYSA-N |