2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Chemical Structure Depiction of
2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Compound characteristics
| Compound ID: | C470-0513 |
| Compound Name: | 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C20 H25 N7 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3)n2CC(N)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5608 |
| logD: | 0.5603 |
| logSw: | -1.3801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.333 |
| InChI Key: | RRWQCVAPXRLOMB-UHFFFAOYSA-N |