ethyl 4-{[3-methyl-2,6-dioxo-7-(3-oxobutan-2-yl)-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-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-methyl-2,6-dioxo-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0629 |
| Compound Name: | ethyl 4-{[3-methyl-2,6-dioxo-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C18 H26 N6 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1C(C)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.237 |
| logD: | 0.2325 |
| logSw: | -1.6356 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.901 |
| InChI Key: | AICULTHPGNLYSS-NSHDSACASA-N |