8-[2-(1,3-dimethyl-1H-pyrazol-4-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[2-(1,3-dimethyl-1H-pyrazol-4-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[2-(1,3-dimethyl-1H-pyrazol-4-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3235 |
| Compound Name: | 8-[2-(1,3-dimethyl-1H-pyrazol-4-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C17 H22 N6 O2 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3cn(C)nc3C)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3996 |
| logD: | 1.3996 |
| logSw: | -1.3516 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.571 |
| InChI Key: | REBPNIDGSCEANY-UHFFFAOYSA-N |