2-({[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | 8018-9509 |
| Compound Name: | 2-({[4-methyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 310.38 |
| Molecular Formula: | C16 H14 N4 O S |
| Smiles: | Cc1c(cco1)c1nnc(n1C)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 2.7988 |
| logD: | 2.7986 |
| logSw: | -3.2382 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.34 |
| InChI Key: | JMRVLZQILMYWJB-UHFFFAOYSA-N |