4-ethyl-3-(methylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-(methylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole
4-ethyl-3-(methylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8019-8698 |
| Compound Name: | 4-ethyl-3-(methylsulfanyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 2.8732 |
| logD: | 2.8732 |
| logSw: | -3.3217 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.619 |
| InChI Key: | IFFWFMMWPJEBKO-UHFFFAOYSA-N |