8-(2-{4-[2-(4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-{4-[2-(4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(2-{4-[2-(4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3247 |
| Compound Name: | 8-(2-{4-[2-(4-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 684.75 |
| Molecular Formula: | C35 H40 N8 O7 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(cc3)OCC(N3CCN(CC3)Cc3nc(c4ccc(c(c4)OC)OC)no3)=O)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2531 |
| logD: | 3.253 |
| logSw: | -3.3601 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 118.173 |
| InChI Key: | GOSRJUVPYCHMGY-UHFFFAOYSA-N |