7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y032-0327 |
| Compound Name: | 7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCc3ccccc3C2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9015 |
| logD: | 0.9015 |
| logSw: | -1.5932 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.015 |
| InChI Key: | HMPCJNGQLRDHFJ-UHFFFAOYSA-N |