1-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
1-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C470-0746 |
| Compound Name: | 1-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCC(CC3)C(N)=O)n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3387 |
| logD: | 1.1573 |
| logSw: | -1.7776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.45 |
| InChI Key: | IMKGWJHOQQYGAB-UHFFFAOYSA-N |