N-(2-methoxy-5-nitrophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2-methoxy-5-nitrophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K847-0600 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C23 H25 N5 O6 S |
| Smiles: | CC1CCN(CC1)C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1cc(ccc1OC)[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2724 |
| logD: | 0.8892 |
| logSw: | -3.0628 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.039 |
| InChI Key: | IDXAHXOHZJJRKI-UHFFFAOYSA-N |