2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(2-methoxyphenyl)acetamide
2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K850-0219 |
| Compound Name: | 2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C29 H29 N5 O6 S |
| Smiles: | Cc1c2C(N(CC(Nc3ccccc3OC)=O)C=Nc2sc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5273 |
| logD: | 2.3425 |
| logSw: | -2.952 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.627 |
| InChI Key: | UKFWYSMPDYDAHF-UHFFFAOYSA-N |