4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y020-5589 |
| Compound Name: | 4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | CCn1c(c2ccccc2)nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9745 |
| logD: | 3.9745 |
| logSw: | -4.0121 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.347 |
| InChI Key: | KOAMGAVCGIYGGJ-UHFFFAOYSA-N |