benzyl (9-cyclohexyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Chemical Structure Depiction of
benzyl (9-cyclohexyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
benzyl (9-cyclohexyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Compound characteristics
| Compound ID: | D389-0862 |
| Compound Name: | benzyl (9-cyclohexyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C24 H29 N5 O4 |
| Smiles: | CN1C(N(CC(=O)OCc2ccccc2)C(c2c1nc1N(CCCn12)C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7934 |
| logD: | 3.7931 |
| logSw: | -3.876 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.15 |
| InChI Key: | VERARRQMOABPGS-UHFFFAOYSA-N |