benzyl [9-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [9-(2,3-dimethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-1119 |
| Compound Name: | benzyl [9-(2,3-dimethylphenyl)-1-methyl-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: | Cc1cccc(c1C)N1CCCn2c3C(N(CC(=O)OCc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5449 |
| logD: | 4.5404 |
| logSw: | -4.4644 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.016 |
| InChI Key: | WURQXMBSQGNIKL-UHFFFAOYSA-N |