1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0173 |
| Compound Name: | 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.8963 |
| logD: | 3.8754 |
| logSw: | -3.8221 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.413 |
| InChI Key: | IRSXGYOJXDPPJY-UHFFFAOYSA-N |