4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D584-0205 |
Compound Name: | 4-benzyl-5-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 455.56 |
Molecular Formula: | C27 H29 N5 O2 |
Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(N2CCC(C)CC2)=O)C(n2c1nc(c1ccccc1)n2)=O |
Stereo: | ACHIRAL |
logP: | 4.5927 |
logD: | 4.5927 |
logSw: | -4.3529 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.604 |
InChI Key: | GSOVZVAAUITGIB-UHFFFAOYSA-N |