2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C242-1136 |
| Compound Name: | 2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 537.59 |
| Molecular Formula: | C27 H27 N3 O7 S |
| Smiles: | Cc1c2C(N(C(N(CC(NCCc3ccc(c(c3)OC)OC)=O)c2sc1C)=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8303 |
| logD: | 2.8303 |
| logSw: | -3.4149 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.796 |
| InChI Key: | QSFOZFFXAZIXIU-UHFFFAOYSA-N |