ethyl 4-{[3-methyl-2,6-dioxo-7-(2-oxopropyl)-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-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-methyl-2,6-dioxo-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0586 |
| Compound Name: | ethyl 4-{[3-methyl-2,6-dioxo-7-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C17 H24 N6 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1CC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1624 |
| logD: | -0.1677 |
| logSw: | -1.2671 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.714 |
| InChI Key: | PSROXTYTAWPYKR-UHFFFAOYSA-N |