1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0314 |
| Compound Name: | 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2CN2CCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1728 |
| logD: | 3.1444 |
| logSw: | -3.043 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.413 |
| InChI Key: | ITVTXFWQXXAOHA-UHFFFAOYSA-N |