ethyl 4-{2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
ethyl 4-{2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C241-1718 |
| Compound Name: | ethyl 4-{2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 594.64 |
| Molecular Formula: | C29 H30 N4 O8 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(CC(NCCc2ccc(c(c2)OC)OC)=O)C(c2c1ccs2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8953 |
| logD: | 2.8953 |
| logSw: | -3.4959 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.762 |
| InChI Key: | JSGMDITVQLFGOK-UHFFFAOYSA-N |