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 |