4-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5450 |
| Compound Name: | 4-({[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C23 H17 F N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)F)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1546 |
| logD: | 5.1546 |
| logSw: | -5.1392 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.468 |
| InChI Key: | BPTYLLOEJUTDMF-UHFFFAOYSA-N |