8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0052 |
| Compound Name: | 8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C27 H29 Cl N4 O3 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2Oc2ccc(cc2C2CCCCC2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9367 |
| logD: | 6.9367 |
| logSw: | -6.312 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.76 |
| InChI Key: | VOIYYACRGCIXEI-UHFFFAOYSA-N |