5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D481-0161 |
Compound Name: | 5-methyl-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 414.53 |
Molecular Formula: | C20 H26 N6 O2 S |
Smiles: | CC1CCN(CC1)C(CCC1=C(C)Nc2nc(NCc3cccs3)nn2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3522 |
logD: | 2.309 |
logSw: | -2.8127 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.031 |
InChI Key: | AMVYNSUIEYPNFP-UHFFFAOYSA-N |