7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0194 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(prop-2-yn-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C17 H15 Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])OCC#C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3488 |
| logD: | 3.3488 |
| logSw: | -3.3923 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.422 |
| InChI Key: | VURRTWGULUEUGK-UHFFFAOYSA-N |