ethyl 4-{[7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8255-0976 |
| Compound Name: | ethyl 4-{[7-(3,3-dimethyl-2-oxobutyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H32 N6 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7339 |
| logD: | 1.7315 |
| logSw: | -1.7002 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.712 |
| InChI Key: | UAHJRZBIOGTDMW-UHFFFAOYSA-N |