8-(4-benzylpiperidin-1-yl)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzylpiperidin-1-yl)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzylpiperidin-1-yl)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5481 |
| Compound Name: | 8-(4-benzylpiperidin-1-yl)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C26 H28 Cl N5 O2 |
| Smiles: | CN1C(N(Cc2ccc(cc2)[Cl])C(c2c1nc(N1CCC(CC1)Cc1ccccc1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6486 |
| logD: | 5.6469 |
| logSw: | -5.9055 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.47 |
| InChI Key: | VSPBXAAGPOFWNS-UHFFFAOYSA-N |