7-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0430 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 484.38 |
| Molecular Formula: | C24 H23 Cl2 N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(cc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0935 |
| logD: | 5.0925 |
| logSw: | -5.4385 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.075 |
| InChI Key: | VPZJHWGFUYBXBG-UHFFFAOYSA-N |