3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y020-5521 |
| Compound Name: | 3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | C=CCn1c(c2ccccc2)nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1863 |
| logD: | 4.1863 |
| logSw: | -4.3305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.601 |
| InChI Key: | MYBCXKKNNUYQRW-UHFFFAOYSA-N |