3-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
Compound ID: | V011-9028 |
Compound Name: | 3-({[5-(3-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
Molecular Weight: | 382.49 |
Molecular Formula: | C23 H18 N4 S |
Salt: | not_available |
Smiles: | Cc1cccc(c1)c1nnc(n1c1ccccc1)SCc1cccc(C#N)c1 |
Stereo: | ACHIRAL |
logP: | 5.2118 |
logD: | 5.2118 |
logSw: | -5.202 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 41.769 |
InChI Key: | WETKOKAPEIACNQ-UHFFFAOYSA-N |