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-(3,4-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-(3,4-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-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | E140-0587 |
| 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-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C23 H20 F2 N4 O4 S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(Nc1ccc(c(c1)F)F)=O)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.761 |
| logD: | 2.2116 |
| logSw: | -3.2161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.211 |
| InChI Key: | XCJUWUKFSSKAOL-UHFFFAOYSA-N |