4-ethyl-3-(4-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-(4-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-ethyl-3-(4-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y020-5519 |
| Compound Name: | 4-ethyl-3-(4-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | CCn1c(c2ccc(C)cc2)nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.503 |
| logD: | 4.503 |
| logSw: | -4.3152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.347 |
| InChI Key: | VBLFAOGIMCKTKY-UHFFFAOYSA-N |