8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0223 |
| Compound Name: | 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C27 H29 Cl F N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCC(CC3)Cc3ccccc3)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3936 |
| logD: | 5.3856 |
| logSw: | -5.8291 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.141 |
| InChI Key: | NPSJUVSMDIVCFY-UHFFFAOYSA-N |