8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0693 |
| Compound Name: | 8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5772 |
| logD: | 4.5679 |
| logSw: | -4.3217 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.325 |
| InChI Key: | YQXGWCNGOXQWAK-UHFFFAOYSA-N |