benzyl [1-methyl-2,4-dioxo-9-(2-phenylethyl)-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-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [1-methyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0836 |
| Compound Name: | benzyl [1-methyl-2,4-dioxo-9-(2-phenylethyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C26 H27 N5 O4 |
| Smiles: | CN1C(N(CC(=O)OCc2ccccc2)C(c2c1nc1N(CCCn12)CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8051 |
| logD: | 3.8044 |
| logSw: | -3.9159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.741 |
| InChI Key: | IBPPQYMIXYFTDA-UHFFFAOYSA-N |