4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide
4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V008-3398 |
| Compound Name: | 4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C27 H28 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CCc3ccccc3)nc2sc1C)N1CCN(CC1)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4024 |
| logD: | 5.5661 |
| logSw: | -5.925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.677 |
| InChI Key: | JIIOHWMTMGHBOY-UHFFFAOYSA-N |