benzyl [9-(4-ethylphenyl)-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-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [9-(4-ethylphenyl)-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: | D389-0571 |
| Compound Name: | benzyl [9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C27 H29 N5 O4 |
| Smiles: | CCc1ccc(cc1)N1CC(C)Cn2c3C(N(CC(=O)OCc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0485 |
| logD: | 5.0484 |
| logSw: | -4.7352 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.184 |
| InChI Key: | YVIIGOUQUJYABZ-SFHVURJKSA-N |