3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0091 |
| Compound Name: | 3-(ethylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | CCSc1nnc(c2cccc(c2)[N+]([O-])=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.6773 |
| logD: | 2.6773 |
| logSw: | -2.8098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.704 |
| InChI Key: | IZLZGQWNCUCPKO-UHFFFAOYSA-N |