2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K292-0616 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 519.52 |
| Molecular Formula: | C23 H16 F3 N3 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7735 |
| logD: | 4.7735 |
| logSw: | -4.6903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.356 |
| InChI Key: | WRYJYLACQJPIRY-UHFFFAOYSA-N |