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-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K892-0219 |
| 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-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 613.62 |
| Molecular Formula: | C29 H26 F3 N5 O5 S |
| Smiles: | Cc1c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2sc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8174 |
| logD: | 3.6324 |
| logSw: | -4.1483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.695 |
| InChI Key: | KDDMCRCHUOQTFI-UHFFFAOYSA-N |