3-(methylsulfanyl)-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(methylsulfanyl)-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(methylsulfanyl)-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0088 |
| Compound Name: | 3-(methylsulfanyl)-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | CSc1nnc(c2cccc(c2)[N+]([O-])=O)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 3.1034 |
| logD: | 3.1034 |
| logSw: | -3.3606 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.872 |
| InChI Key: | GMBHPWLXQBSOBR-UHFFFAOYSA-N |