3-(4-chlorophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(4-chlorophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y020-5375 |
| Compound Name: | 3-(4-chlorophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C18 H15 Cl N4 O2 S |
| Smiles: | C=CCn1c(c2ccc(cc2)[Cl])nnc1SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8861 |
| logD: | 4.8861 |
| logSw: | -5.3029 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.601 |
| InChI Key: | CDENDHUIAJFZPY-UHFFFAOYSA-N |