3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-7101 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 395.88 |
| Molecular Formula: | C21 H15 Cl F N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1[Cl])Sc1nnc(c2ccc(cc2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9559 |
| logD: | 5.9559 |
| logSw: | -6.3139 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | JSOJNNAOCYUJSS-UHFFFAOYSA-N |