7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0084 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C26 H27 Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])Oc2ccc(cc2)C2CCCCC2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.973 |
| logD: | 6.973 |
| logSw: | -6.5742 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.673 |
| InChI Key: | SDIPPYZYIJWOIU-UHFFFAOYSA-N |