N-[(4-methoxyphenyl)methyl]-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
N-[(4-methoxyphenyl)methyl]-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
Compound characteristics
Compound ID: | S517-0326 |
Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide |
Molecular Weight: | 405.5 |
Molecular Formula: | C23 H27 N5 O2 |
Smiles: | COc1ccc(CNC(N2CCC(CC2)Cc2nncn2c2ccccc2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.8696 |
logD: | 2.8694 |
logSw: | -3.3019 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.093 |
InChI Key: | OYEFNTWFWHCFLQ-UHFFFAOYSA-N |