4-benzyl-3-(benzylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-(benzylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole
4-benzyl-3-(benzylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0053 |
| Compound Name: | 4-benzyl-3-(benzylsulfanyl)-5-(3-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(c2cccc(c2)[N+]([O-])=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2621 |
| logD: | 5.2621 |
| logSw: | -5.6241 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.351 |
| InChI Key: | DLCQAGYGOXVLBF-UHFFFAOYSA-N |