8-(4-chloro-2-cyclohexylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chloro-2-cyclohexylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-chloro-2-cyclohexylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-1170 |
| Compound Name: | 8-(4-chloro-2-cyclohexylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 567.09 |
| Molecular Formula: | C30 H35 Cl N4 O5 |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2Oc2ccc(cc2C2CCCCC2)[Cl])=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 6.5775 |
| logD: | 6.5775 |
| logSw: | -6.2331 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.18 |
| InChI Key: | QYKPXDWYCZEVHP-UHFFFAOYSA-N |