3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-3562 |
| Compound Name: | 3-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 372.45 |
| Molecular Formula: | C21 H16 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccco2)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2727 |
| logD: | 4.2725 |
| logSw: | -4.384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.046 |
| InChI Key: | UJGVSTFBNKRBNR-UHFFFAOYSA-N |