2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide
2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C241-1738 |
| Compound Name: | 2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | C(CNC(CN1C(c2c(ccs2)N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2967 |
| logD: | 3.2967 |
| logSw: | -3.5625 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.98 |
| InChI Key: | BQLHCWOSXJQJOH-UHFFFAOYSA-N |