ethyl (8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
ethyl (8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
ethyl (8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C470-0475 |
| Compound Name: | ethyl (8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C21 H26 N6 O6 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccco1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5524 |
| logD: | 0.5507 |
| logSw: | -1.1772 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.878 |
| InChI Key: | VIFZGEDKOVEXES-UHFFFAOYSA-N |