8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-3062 |
| Compound Name: | 8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 612.47 |
| Molecular Formula: | C29 H27 Cl2 N5 O6 |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2Oc2ccc(cc2)Oc2c(cc(cn2)[Cl])[Cl])=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.992 |
| logD: | 5.992 |
| logSw: | -6.0992 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.816 |
| InChI Key: | XZIIKUJKJKXZAH-UHFFFAOYSA-N |