N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K847-0366 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 485.52 |
| Molecular Formula: | C22 H23 N5 O6 S |
| Smiles: | Cc1c2C(N(CC(N3CCCCC3)=O)C=Nc2sc1C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9421 |
| logD: | 0.5588 |
| logSw: | -2.919 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.039 |
| InChI Key: | RSZWFPKGGVHIEU-UHFFFAOYSA-N |