3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
Compound ID: | F722-1022 |
Compound Name: | 3-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
Molecular Weight: | 475.34 |
Molecular Formula: | C20 H23 Br N6 O3 |
Smiles: | CC(C)CCN1C2=C(N(C)C(N(C)C2=O)=O)n2c(c3cc(ccc3OC)[Br])nnc12 |
Stereo: | ACHIRAL |
logP: | 3.9884 |
logD: | 3.9884 |
logSw: | -4.2078 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 65.374 |
InChI Key: | VTWMBTHORUOWIX-UHFFFAOYSA-N |