5-[(4-phenylpiperazin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-phenylpiperazin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-phenylpiperazin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D412-0415 |
Compound Name: | 5-[(4-phenylpiperazin-1-yl)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 457.58 |
Molecular Formula: | C26 H31 N7 O |
Smiles: | CC(C)c1ccc(CNc2nc3NC(CN4CCN(CC4)c4ccccc4)=CC(n3n2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.7676 |
logD: | 3.4019 |
logSw: | -3.8702 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.974 |
InChI Key: | BTBXSEXYQYDFSG-UHFFFAOYSA-N |