2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide
2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide
Compound characteristics
Compound ID: | C241-1636 |
Compound Name: | 2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide |
Molecular Weight: | 550.63 |
Molecular Formula: | C28 H30 N4 O6 S |
Smiles: | CCc1ccc(cc1)NC(CN1C(N(CC(NCCc2ccc(c(c2)OC)OC)=O)C(c2c1ccs2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2246 |
logD: | 3.2246 |
logSw: | -3.5585 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.008 |
InChI Key: | WQTPYFPVPBKPDW-UHFFFAOYSA-N |