2-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C241-1640 |
| Compound Name: | 2-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C26 H24 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CN2C(c3c(ccs3)N(Cc3ccccc3C#N)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5533 |
| logD: | 2.5533 |
| logSw: | -3.1539 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.915 |
| InChI Key: | DVYSVKOQDNKURU-UHFFFAOYSA-N |