3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K840-0423 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 484.92 |
| Molecular Formula: | C22 H17 Cl N4 O5 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3[Cl])C=Nc2sc1C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0477 |
| logD: | 2.6644 |
| logSw: | -4.5513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.646 |
| InChI Key: | QUZFGNJMKFFMPJ-UHFFFAOYSA-N |