8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0191 |
| Compound Name: | 8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4787 |
| logD: | 4.4777 |
| logSw: | -4.2011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.075 |
| InChI Key: | MIFFODLOBTVTMT-UHFFFAOYSA-N |