8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0271 |
| Compound Name: | 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C27 H30 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCC(CC3)Cc3ccccc3)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.402 |
| logD: | 5.3941 |
| logSw: | -5.8016 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.141 |
| InChI Key: | KTGBTEYGNLUUHM-UHFFFAOYSA-N |