benzyl [9-(3-methoxyphenyl)-1,7-dimethyl-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)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [9-(3-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0528 |
| Compound Name: | benzyl [9-(3-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C26 H27 N5 O5 |
| Smiles: | CC1CN(c2cccc(c2)OC)c2nc3c(C(N(CC(=O)OCc4ccccc4)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2566 |
| logD: | 4.2565 |
| logSw: | -4.6047 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.728 |
| InChI Key: | IBWPATRJADTOKS-KRWDZBQOSA-N |