7-(3,3-dimethyl-2-oxobutyl)-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-(3,3-dimethyl-2-oxobutyl)-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8255-0975 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C23 H30 N6 O5 |
| Smiles: | CC(C)(C)C(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccco1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4043 |
| logD: | 1.404 |
| logSw: | -1.836 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.966 |
| InChI Key: | GRTLFECAACZUOF-UHFFFAOYSA-N |