7-[(4-chlorophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0105 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-(2,3-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | Cc1cccc(c1C)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.328 |
| logD: | 5.328 |
| logSw: | -5.8849 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | YJWLDJKFYNZVAU-UHFFFAOYSA-N |