N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C241-1792 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide |
| Molecular Weight: | 524.55 |
| Molecular Formula: | C25 H24 N4 O7 S |
| Smiles: | COc1ccc(CCNC(CN2C(c3c(ccs3)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8137 |
| logD: | 2.8137 |
| logSw: | -3.506 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.241 |
| InChI Key: | ZSTSWYDOPRVVLX-UHFFFAOYSA-N |