8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-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-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0642 |
| Compound Name: | 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C21 H28 N6 O4 |
| Smiles: | CC(C)Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6746 |
| logD: | 1.6734 |
| logSw: | -1.8542 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.719 |
| InChI Key: | FOQQVEVTCNPOOG-UHFFFAOYSA-N |