2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-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-2-(2-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | G786-1821 |
Compound Name: | 2-{[6,8-dimethyl-2-(2-methylphenyl)-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
Molecular Weight: | 451.5 |
Molecular Formula: | C22 H21 N5 O4 S |
Smiles: | Cc1ccccc1c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(NCc1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 3.4276 |
logD: | 3.4276 |
logSw: | -3.8899 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.004 |
InChI Key: | HBUVNXHKCTYUJF-UHFFFAOYSA-N |