7-benzyl-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5534 |
| Compound Name: | 7-benzyl-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 324.34 |
| Molecular Formula: | C17 H16 N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)OCC#C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7273 |
| logD: | 2.7273 |
| logSw: | -2.8681 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.422 |
| InChI Key: | VBJQUJLGWJDVMS-UHFFFAOYSA-N |