ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C470-0660 |
| Compound Name: | ethyl 4-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C20 H32 N6 O4 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.409 |
| logD: | 2.4073 |
| logSw: | -2.1521 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.443 |
| InChI Key: | GKOJIAWFGXJNQH-UHFFFAOYSA-N |