1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0322 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-8-(3,4-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1C)Oc1nc2c(C(N(Cc3ccccc3[Cl])C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 5.0128 |
| logD: | 5.0128 |
| logSw: | -5.1282 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | HXQZMXAPDUPSJT-UHFFFAOYSA-N |