4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | 8015-3109 |
| Compound Name: | 4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C22 H16 N4 S |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5399 |
| logD: | 4.5399 |
| logSw: | -4.5823 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | RRNZFEFJXGDWDP-UHFFFAOYSA-N |