2-(3-methylphenyl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(3-methylphenyl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
Compound ID: | S517-0291 |
Compound Name: | 2-(3-methylphenyl)-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
Molecular Weight: | 374.48 |
Molecular Formula: | C23 H26 N4 O |
Smiles: | Cc1cccc(CC(N2CCC(CC2)Cc2nncn2c2ccccc2)=O)c1 |
Stereo: | ACHIRAL |
logP: | 3.8708 |
logD: | 3.8706 |
logSw: | -4.0495 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 41.879 |
InChI Key: | LCMWRBMCMBLWAX-UHFFFAOYSA-N |