2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidin-4-yl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidin-4-yl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidin-4-yl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
Compound characteristics
Compound ID: | D750-1394 |
Compound Name: | 2-[1-benzyl-4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidin-4-yl]-N-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide |
Molecular Weight: | 458.56 |
Molecular Formula: | C26 H30 N6 O2 |
Smiles: | Cn1cnc(CNC(CC2(CCN(CC2)Cc2ccccc2)N2Cc3ccccc3C2=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 1.8354 |
logD: | 1.3479 |
logSw: | -2.6767 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.342 |
InChI Key: | HOUYWJPNMXRQQT-UHFFFAOYSA-N |