ethyl 4-{[7-(2-ethoxy-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-ethoxy-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-ethoxy-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: | C470-0468 |
| Compound Name: | ethyl 4-{[7-(2-ethoxy-2-oxoethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C19 H28 N6 O6 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(=O)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.882 |
| logD: | 0.8802 |
| logSw: | -0.8464 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.623 |
| InChI Key: | LPABNYGWYOFQRL-UHFFFAOYSA-N |