8-(4-chloro-2-methylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chloro-2-methylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-chloro-2-methylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0104 |
| Compound Name: | 8-(4-chloro-2-methylphenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.3 |
| Molecular Formula: | C21 H18 Cl2 N4 O3 |
| Smiles: | Cc1cc(ccc1Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7769 |
| logD: | 5.7768 |
| logSw: | -5.9619 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | ANYZNVAJWJRWJS-UHFFFAOYSA-N |