7-dodecyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-dodecyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-dodecyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1189-2238 |
| Compound Name: | 7-dodecyl-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C23 H39 N5 O2 |
| Smiles: | CCCCCCCCCCCCn1c2C(NC(N(C)c2nc1N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9541 |
| logD: | 6.9539 |
| logSw: | -5.8622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.861 |
| InChI Key: | NVGXYPHETQHUNG-UHFFFAOYSA-N |