7-butyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0054 |
| Compound Name: | 7-butyl-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 361.49 |
| Molecular Formula: | C19 H31 N5 O2 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1CN1CCCCC1CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.133 |
| logD: | 2.7879 |
| logSw: | -2.8276 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.475 |
| InChI Key: | YSKFZKNWCYPMHN-AWEZNQCLSA-N |