ethyl [9-(4-bromophenyl)-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
ethyl [9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
ethyl [9-(4-bromophenyl)-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: | D389-0883 |
| Compound Name: | ethyl [9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate |
| Molecular Weight: | 476.33 |
| Molecular Formula: | C20 H22 Br N5 O4 |
| Smiles: | CCOC(CN1C(c2c(nc3N(CC(C)Cn23)c2ccc(cc2)[Br])N(C)C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6823 |
| logD: | 3.6821 |
| logSw: | -3.7934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.08 |
| InChI Key: | GSPNWNICPCGGQE-LBPRGKRZSA-N |