benzyl (1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Chemical Structure Depiction of
benzyl (1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
benzyl (1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Compound characteristics
| Compound ID: | D389-0027 |
| Compound Name: | benzyl (1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H23 N5 O4 |
| Smiles: | CN1C(N(CC(=O)OCc2ccccc2)C(c2c1nc1N(CCCn12)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5311 |
| logD: | 3.5308 |
| logSw: | -3.5615 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.317 |
| InChI Key: | RUKLKXSYRKSZJL-UHFFFAOYSA-N |