3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-8722 |
| Compound Name: | 3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C18 H16 F N3 S |
| Smiles: | C=CCn1c(c2ccc(cc2)F)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3948 |
| logD: | 4.3948 |
| logSw: | -4.5468 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | OIRDIJSZGZQIKU-UHFFFAOYSA-N |