benzyl (1,7-dimethyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Chemical Structure Depiction of
benzyl (1,7-dimethyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
benzyl (1,7-dimethyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate
Compound characteristics
| Compound ID: | D389-0374 |
| Compound Name: | benzyl (1,7-dimethyl-2,4-dioxo-9-phenyl-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl)acetate |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | CC1CN(c2ccccc2)c2nc3c(C(N(CC(=O)OCc4ccccc4)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9963 |
| logD: | 3.9962 |
| logSw: | -4.2329 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.184 |
| InChI Key: | MHMKNQLGMYDYGQ-KRWDZBQOSA-N |