4-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-9461 |
| Compound Name: | 4-({[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C21 H15 Cl N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCc1ccc(C#N)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7736 |
| logD: | 4.7735 |
| logSw: | -4.8885 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.046 |
| InChI Key: | LNCCGPWXBGTCDV-UHFFFAOYSA-N |