7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0061 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-(4-chloro-3,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 503.78 |
| Molecular Formula: | C22 H20 Br Cl N4 O3 |
| Smiles: | Cc1cc(cc(C)c1[Cl])Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3991 |
| logD: | 6.399 |
| logSw: | -6.4276 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | JGIGQIQJJFKCFR-UHFFFAOYSA-N |