2-{[2-(2-fluorophenyl)-6,8-dimethyl-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-{[2-(2-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[2-(2-fluorophenyl)-6,8-dimethyl-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: | G786-1867 |
| Compound Name: | 2-{[2-(2-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C21 H18 F N5 O4 S |
| Smiles: | CN1C(c2c(nc(c3ccccc3F)nc2SCC(NCc2ccco2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1162 |
| logD: | 3.1162 |
| logSw: | -3.5144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.004 |
| InChI Key: | BQQUHCHFBQYGFU-UHFFFAOYSA-N |