1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0243 |
| Compound Name: | 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC1CCCCN1Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.62 |
| logD: | 3.5704 |
| logSw: | -3.5723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.864 |
| InChI Key: | VSJXBVQTBZGVPQ-INIZCTEOSA-N |