2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | G786-1748 |
Compound Name: | 2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide |
Molecular Weight: | 437.48 |
Molecular Formula: | C21 H19 N5 O4 S |
Smiles: | CN1C(c2c(nc(c3ccccc3)nc2SCC(NCc2ccco2)=O)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8797 |
logD: | 3.8797 |
logSw: | -4.1623 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.004 |
InChI Key: | CKVGGEFSQZOANE-UHFFFAOYSA-N |