7-[(2,5-dimethylphenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,5-dimethylphenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,5-dimethylphenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0310 |
| Compound Name: | 7-[(2,5-dimethylphenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C26 H30 N6 O4 |
| Smiles: | Cc1ccc(C)c(Cn2c3C(N(C)C(N(C)c3nc2CN2CCN(CC2)C(c2ccco2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1296 |
| logD: | 3.1287 |
| logSw: | -2.7916 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.448 |
| InChI Key: | JKSDPXTUYMTMCA-UHFFFAOYSA-N |