8-{2-[5-(4-chlorophenyl)furan-2-yl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-[5-(4-chlorophenyl)furan-2-yl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{2-[5-(4-chlorophenyl)furan-2-yl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3271 |
| Compound Name: | 8-{2-[5-(4-chlorophenyl)furan-2-yl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(c4ccc(cc4)[Cl])o3)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.888 |
| logD: | 4.888 |
| logSw: | -4.917 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.978 |
| InChI Key: | MKERIAYJKGQGRZ-UHFFFAOYSA-N |