8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0223 |
| Compound Name: | 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 531.41 |
| Molecular Formula: | C26 H25 Cl2 F N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])F)Oc2ccc(cc2C2CCCCC2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1264 |
| logD: | 7.1264 |
| logSw: | -6.4397 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.76 |
| InChI Key: | NALIARBRBHEGHD-UHFFFAOYSA-N |