7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0085 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 557.87 |
| Molecular Formula: | C26 H26 Br Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Br])Oc2ccc(cc2C2CCCCC2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3472 |
| logD: | 7.3472 |
| logSw: | -6.4056 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.76 |
| InChI Key: | JCABLZJXKYDKLC-UHFFFAOYSA-N |