3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0071 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C18 H15 F N4 O2 S |
| Smiles: | C=CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1SCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.874 |
| logD: | 4.874 |
| logSw: | -4.9998 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.601 |
| InChI Key: | PNLKILZHNXPERK-UHFFFAOYSA-N |