7-[(4-tert-butylphenyl)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-[(4-tert-butylphenyl)methyl]-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)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: | 8013-0375 |
Compound Name: | 7-[(4-tert-butylphenyl)methyl]-8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 580.47 |
Molecular Formula: | C29 H27 Cl2 N5 O4 |
Smiles: | CC(C)(C)c1ccc(Cn2c3C(N(C)C(N(C)c3nc2Oc2ccc(cc2)Oc2c(cc(cn2)[Cl])[Cl])=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 7.7222 |
logD: | 7.7222 |
logSw: | -6.4937 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 66.395 |
InChI Key: | LEIOGYZNZBUFOG-UHFFFAOYSA-N |