7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0079 |
| Compound Name: | 7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 457.58 |
| Molecular Formula: | C27 H31 N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCC(CC3)Cc3ccccc3)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7805 |
| logD: | 4.7726 |
| logSw: | -4.5358 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.141 |
| InChI Key: | JQMWDCUPZHIGNV-UHFFFAOYSA-N |