8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0547 |
| Compound Name: | 8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0813 |
| logD: | 4.072 |
| logSw: | -3.9606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.325 |
| InChI Key: | DVRNUIFYOZDFNR-UHFFFAOYSA-N |