methyl [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
methyl [9-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [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: | D389-0717 |
| Compound Name: | methyl [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: | 403.82 |
| Molecular Formula: | C18 H18 Cl N5 O4 |
| Smiles: | CN1C(N(CC(=O)OC)C(c2c1nc1N(CCCn12)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4432 |
| logD: | 2.4428 |
| logSw: | -2.9083 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.633 |
| InChI Key: | NZLZHMGEYLQMLR-UHFFFAOYSA-N |