2-{8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Chemical Structure Depiction of
2-{8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
2-{8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Compound characteristics
| Compound ID: | C692-0562 |
| Compound Name: | 2-{8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C20 H25 N7 O3 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)Cc1ccccc1)n2CC(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1737 |
| logD: | -0.446 |
| logSw: | -1.9128 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.527 |
| InChI Key: | CVEXGECQGJWSOD-UHFFFAOYSA-N |