ethyl [9-(4-chlorophenyl)-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-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
ethyl [9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0718 |
| Compound Name: | ethyl [9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 417.85 |
| Molecular Formula: | C19 H20 Cl N5 O4 |
| Smiles: | CCOC(CN1C(c2c(nc3N(CCCn23)c2ccc(cc2)[Cl])N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9779 |
| logD: | 2.9776 |
| logSw: | -3.3749 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.213 |
| InChI Key: | YLWDPGOVHSMKBQ-UHFFFAOYSA-N |