ethyl 4-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0431 |
| Compound Name: | ethyl 4-{[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C23 H30 N6 O4 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1CCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5487 |
| logD: | 2.5421 |
| logSw: | -2.811 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.086 |
| InChI Key: | KLMUJBYJLIRVRP-UHFFFAOYSA-N |