1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
Compound characteristics
Compound ID: | D245-0609 |
Compound Name: | 1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one |
Molecular Weight: | 391.86 |
Molecular Formula: | C21 H18 Cl N5 O |
Smiles: | CC(c1ccc(cc1)Nc1cc(C)nc2nc(Cc3ccc(cc3)[Cl])nn12)=O |
Stereo: | ACHIRAL |
logP: | 4.0178 |
logD: | 4.0139 |
logSw: | -4.3923 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.658 |
InChI Key: | KJMWNRGVQGBVLK-UHFFFAOYSA-N |