4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-1223 |
| Compound Name: | 4-({[5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 372.45 |
| Molecular Formula: | C21 H16 N4 O S |
| Smiles: | Cc1cccc(c1)n1c(c2ccco2)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1837 |
| logD: | 4.1836 |
| logSw: | -4.3223 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.347 |
| InChI Key: | BOYIYUNTIODYBY-UHFFFAOYSA-N |