ethyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Chemical Structure Depiction of
ethyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
ethyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Compound characteristics
| Compound ID: | D389-0776 |
| Compound Name: | ethyl (9-benzyl-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C20 H23 N5 O4 |
| Smiles: | CCOC(CN1C(c2c(nc3N(CCCn23)Cc2ccccc2)N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2137 |
| logD: | 2.2114 |
| logSw: | -2.4091 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.659 |
| InChI Key: | QGPQAKMIOLGAKM-UHFFFAOYSA-N |