ethyl [9-(4-ethylphenyl)-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-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
ethyl [9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0225 |
| Compound Name: | ethyl [9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CCc1ccc(cc1)N1CCCn2c3C(N(CC(=O)OCC)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3139 |
| logD: | 3.3135 |
| logSw: | -3.3064 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.213 |
| InChI Key: | ZDSKNBZRTGFFOW-UHFFFAOYSA-N |