8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)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-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0381 |
| Compound Name: | 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C28 H28 N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)C(c3ccco3)=O)n2Cc2cccc3ccccc23)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.166 |
| logD: | 3.1658 |
| logSw: | -3.206 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.176 |
| InChI Key: | UAJRBLQNLWYNFD-UHFFFAOYSA-N |