4-[(8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
4-[(8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8013-1698 |
| Compound Name: | 4-[(8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile |
| Molecular Weight: | 549.37 |
| Molecular Formula: | C26 H18 Cl2 N6 O4 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(C#N)cc2)Oc2ccc(cc2)Oc2c(cc(cn2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5822 |
| logD: | 5.5822 |
| logSw: | -6.0038 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.451 |
| InChI Key: | GWMJRVZMTFRDBT-UHFFFAOYSA-N |