8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0334 |
| Compound Name: | 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C25 H28 N6 O4 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2CN2CCN(CC2)C(c2ccco2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3693 |
| logD: | 2.3691 |
| logSw: | -2.5548 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.448 |
| InChI Key: | ITMCUQLBMWTOJI-UHFFFAOYSA-N |