methyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0443 |
| Compound Name: | methyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4447 |
| logD: | 1.443 |
| logSw: | -1.904 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.524 |
| InChI Key: | AJIXFGNRBHMSJE-UHFFFAOYSA-N |