4-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V006-8033 |
| Compound Name: | 4-({[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)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.075 |
| logD: | 4.0749 |
| logSw: | -4.2154 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.046 |
| InChI Key: | RTBKROSCTVZJLB-UHFFFAOYSA-N |