2-({[4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-6059 |
| Compound Name: | 2-({[4-phenyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C19 H18 N4 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccccc1)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.2308 |
| logD: | 4.2307 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.04 |
| InChI Key: | FPNUVFHPMAPEEL-UHFFFAOYSA-N |