8-(2-{4-[2-(1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-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-(1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(2-{4-[2-(1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3243 |
| Compound Name: | 8-(2-{4-[2-(1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-oxoethoxy]phenyl}ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 530.63 |
| Molecular Formula: | C29 H34 N6 O4 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(cc3)OCC(N3CCn4c(C)ccc4C3C)=O)n2C)N(CC)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5148 |
| logD: | 3.5148 |
| logSw: | -3.4219 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.319 |
| InChI Key: | GUONZAZJIXCLDO-FQEVSTJZSA-N |