7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-7086 |
| Compound Name: | 7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(N2CCc3ccccc3C2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1191 |
| logD: | 1.1191 |
| logSw: | -1.8843 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.993 |
| InChI Key: | XVLNYJDIJTWXRF-UHFFFAOYSA-N |