2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,5-difluorophenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,5-difluorophenyl)acetamide
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,5-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | E140-0588 |
| Compound Name: | 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(2,5-difluorophenyl)acetamide |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C23 H20 F2 N4 O4 S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(Nc1cc(ccc1F)F)=O)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.5717 |
| logD: | 2.0223 |
| logSw: | -3.0045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.513 |
| InChI Key: | SHGKSRXPWBJRMD-UHFFFAOYSA-N |