7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0412 |
| Compound Name: | 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | Cc1cccc(c1)OCC(Cn1c2C(NC(N(C)c2nc1N1CCCCC1)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3857 |
| logD: | 3.3856 |
| logSw: | -3.5477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.73 |
| InChI Key: | JYWHCWWEHSTXJN-HNNXBMFYSA-N |