N-[(4-methylphenyl)methyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
N-[(4-methylphenyl)methyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C241-1680 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | Cc1ccc(CNC(CN2C(c3c(ccs3)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9453 |
| logD: | 3.9453 |
| logSw: | -3.8804 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.138 |
| InChI Key: | OJBKYHQWAXAYCX-UHFFFAOYSA-N |