3-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
Compound ID: | V030-6026 |
Compound Name: | 3-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
Molecular Weight: | 428.51 |
Molecular Formula: | C24 H20 N4 O2 S |
Salt: | not_available |
Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCc1cccc(C#N)c1 |
Stereo: | ACHIRAL |
logP: | 4.465 |
logD: | 4.465 |
logSw: | -4.4931 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.03 |
InChI Key: | DDMQVOJODFMUKX-UHFFFAOYSA-N |