2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-0054 |
| Compound Name: | 2-({[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 413.46 |
| Molecular Formula: | C22 H15 N5 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1C#N)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9962 |
| logD: | 4.9962 |
| logSw: | -4.9623 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.15 |
| InChI Key: | GQLFPZLNHLTJFL-UHFFFAOYSA-N |