methyl {8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0446 |
| Compound Name: | methyl {8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)Cc3ccccc3)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1258 |
| logD: | 0.8562 |
| logSw: | -1.6322 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.804 |
| InChI Key: | MZSXPZMPSRBHMI-UHFFFAOYSA-N |