ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C470-0492 |
| Compound Name: | ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C23 H28 N6 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6576 |
| logD: | 1.6573 |
| logSw: | -2.0943 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.44 |
| InChI Key: | JHTQBYRHNFOGFA-UHFFFAOYSA-N |