1,3-dimethyl-7-{2-[4-({4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-{2-[4-({4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-{2-[4-({4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V006-0283 |
| Compound Name: | 1,3-dimethyl-7-{2-[4-({4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 520.59 |
| Molecular Formula: | C26 H32 N8 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2ccc(CN3CCN(CC3)C(Cn3cnc4c3C(N(C)C(N4C)=O)=O)=O)cc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.0767 |
| logD: | 2.067 |
| logSw: | -2.6065 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.236 |
| InChI Key: | GSDUOIMJGPMIST-UHFFFAOYSA-N |