7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-0374 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 602.82 |
| Molecular Formula: | C26 H18 Cl3 N5 O6 |
| Smiles: | CN1C(c2c(nc(n2Cc2cc3c(cc2[Cl])OCO3)Oc2ccc(cc2)Oc2c(cc(cn2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5772 |
| logD: | 6.5772 |
| logSw: | -6.3216 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.511 |
| InChI Key: | NPGIWDJYVQRICW-UHFFFAOYSA-N |