benzyl [9-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [9-(3-methoxyphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0187 |
| Compound Name: | benzyl [9-(3-methoxyphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C25 H25 N5 O5 |
| Smiles: | CN1C(N(CC(=O)OCc2ccccc2)C(c2c1nc1N(CCCn12)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7915 |
| logD: | 3.7912 |
| logSw: | -4.0702 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.861 |
| InChI Key: | LJMCHXQJYKDDGQ-UHFFFAOYSA-N |