4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-4835 |
| Compound Name: | 4-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(Cc2ccccc2)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1762 |
| logD: | 4.1762 |
| logSw: | -4.4071 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.074 |
| InChI Key: | KXBNLLPUKQPEQH-UHFFFAOYSA-N |