7-[(2-chloro-6-fluorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0239 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C24 H23 Cl F N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCc4ccccc4C3)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3354 |
| logD: | 4.3345 |
| logSw: | -4.4006 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.075 |
| InChI Key: | FLKRYZOMNAGFFS-UHFFFAOYSA-N |