ethyl 4-{[7-(2-methoxy-2-oxoethyl)-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-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C470-0445 |
| Compound Name: | ethyl 4-{[7-(2-methoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C18 H26 N6 O6 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3472 |
| logD: | 0.3455 |
| logSw: | -0.5051 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.044 |
| InChI Key: | NRIGAYQZSCWSLB-UHFFFAOYSA-N |