3-(benzylsulfanyl)-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
					Chemical Structure Depiction of
3-(benzylsulfanyl)-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
			3-(benzylsulfanyl)-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0051 | 
| Compound Name: | 3-(benzylsulfanyl)-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole | 
| Molecular Weight: | 340.4 | 
| Molecular Formula: | C17 H16 N4 O2 S | 
| Smiles: | CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1SCc1ccccc1 | 
| Stereo: | ACHIRAL | 
| logP: | 4.098 | 
| logD: | 4.098 | 
| logSw: | -4.2455 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 57.347 | 
| InChI Key: | VWLXMSHINPJNJJ-UHFFFAOYSA-N | 
 
				 
				