8-{4-[(3,6-dichloropyridin-2-yl)oxy]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{4-[(3,6-dichloropyridin-2-yl)oxy]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{4-[(3,6-dichloropyridin-2-yl)oxy]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-4224 |
| Compound Name: | 8-{4-[(3,6-dichloropyridin-2-yl)oxy]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 448.26 |
| Molecular Formula: | C19 H15 Cl2 N5 O4 |
| Smiles: | CN1C(c2c(nc(n2C)Oc2ccc(cc2)Oc2c(ccc(n2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0837 |
| logD: | 4.0837 |
| logSw: | -4.3768 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.822 |
| InChI Key: | COBWBZYKPKXSSH-UHFFFAOYSA-N |