methyl [9-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [9-(3-chloro-4-methylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-1036 |
| Compound Name: | methyl [9-(3-chloro-4-methylphenyl)-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: | Cc1ccc(cc1[Cl])N1CCCn2c3C(N(CC(=O)OC)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0782 |
| logD: | 3.0779 |
| logSw: | -3.302 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.633 |
| InChI Key: | YQCVBQZGNZIUFQ-UHFFFAOYSA-N |