2-{8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Chemical Structure Depiction of
2-{8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
2-{8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Compound characteristics
| Compound ID: | C470-0516 |
| Compound Name: | 2-{8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C21 H27 N7 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)Cc3ccccc3)n2CC(N)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2418 |
| logD: | -0.0277 |
| logSw: | -1.2786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.613 |
| InChI Key: | GLEJATPQXMPFQC-UHFFFAOYSA-N |