2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
Compound ID: | V010-9779 |
Compound Name: | 2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
Molecular Weight: | 398.49 |
Molecular Formula: | C23 H18 N4 O S |
Salt: | not_available |
Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccccc1C#N |
Stereo: | ACHIRAL |
logP: | 5.0529 |
logD: | 5.0529 |
logSw: | -4.6611 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 49.313 |
InChI Key: | JSBNWJQOZKCIJK-UHFFFAOYSA-N |