benzyl [1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0687 |
| Compound Name: | benzyl [1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-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: | CC1CN(c2cccc(C)c2)c2nc3c(C(N(CC(=O)OCc4ccccc4)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5912 |
| logD: | 4.5906 |
| logSw: | -4.637 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.184 |
| InChI Key: | YZKYVGFCFQWCDA-SFHVURJKSA-N |