methyl [9-(4-chlorophenyl)-1,7-dimethyl-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)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
methyl [9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Compound characteristics
| Compound ID: | D389-0903 |
| Compound Name: | methyl [9-(4-chlorophenyl)-1,7-dimethyl-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: | CC1CN(c2ccc(cc2)[Cl])c2nc3c(C(N(CC(=O)OC)C(N3C)=O)=O)n2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9083 |
| logD: | 2.9082 |
| logSw: | -3.3611 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.5 |
| InChI Key: | VGJBFVZFMSJEBB-NSHDSACASA-N |