8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0743 |
| Compound Name: | 8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCc4ccccc4C3)n2CCCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4111 |
| logD: | 4.4018 |
| logSw: | -4.2122 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.053 |
| InChI Key: | DLWBRPINRKWWCC-UHFFFAOYSA-N |