2-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
2-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
Compound ID: | D112-0111 |
Compound Name: | 2-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
Molecular Weight: | 485.37 |
Molecular Formula: | C23 H22 Cl2 N6 O2 |
Smiles: | Cn1c2c(c(nc(Cc3ccc(cc3[Cl])[Cl])n2)N2CCc3cc(c(cc3C2)OC)OC)nn1 |
Stereo: | ACHIRAL |
logP: | 4.8273 |
logD: | 4.8268 |
logSw: | -4.9238 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 65.45 |
InChI Key: | AYLDOKJPOVTHID-UHFFFAOYSA-N |