benzyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
benzyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0069 |
| Compound Name: | benzyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-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: | Cc1ccc(cc1)N1CCCn2c3C(N(CC(=O)OCc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0761 |
| logD: | 4.0757 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.317 |
| InChI Key: | BZOLMQSFDQXCNI-UHFFFAOYSA-N |