N-(2-methoxyphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(2-methoxyphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | K850-0292 |
| Compound Name: | N-(2-methoxyphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 562.6 |
| Molecular Formula: | C27 H26 N6 O6 S |
| Smiles: | Cc1c2C(N(CC(Nc3ccccc3OC)=O)C=Nc2sc1C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0223 |
| logD: | 3.0222 |
| logSw: | -3.435 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.613 |
| InChI Key: | ICQKQWUPASPAQV-UHFFFAOYSA-N |