methyl (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
methyl (1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
methyl (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: | D389-0025 |
| Compound Name: | methyl (1-methyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C18 H19 N5 O4 |
| Smiles: | CN1C(N(CC(=O)OC)C(c2c1nc1N(CCCn12)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7269 |
| logD: | 1.7265 |
| logSw: | -2.0587 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.633 |
| InChI Key: | CSPOCKOYINKBKD-UHFFFAOYSA-N |