1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-en-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-en-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-en-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0139 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(prop-2-en-1-yl)oxy]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.8 |
| Molecular Formula: | C17 H17 Cl N4 O3 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)OCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0588 |
| logD: | 3.0587 |
| logSw: | -3.3023 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.467 |
| InChI Key: | WHAGWCYLVJJTMH-UHFFFAOYSA-N |