3-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-9085 |
| Compound Name: | 3-({[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C22 H15 F N4 S |
| Salt: | not_available |
| Smiles: | C(c1cccc(C#N)c1)Sc1nnc(c2ccc(cc2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8716 |
| logD: | 4.8716 |
| logSw: | -5.0102 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.769 |
| InChI Key: | LOJCRGKNQBNGRP-UHFFFAOYSA-N |