3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-0576 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2-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(c1ccc(cc1)[Cl])Sc1nnc(c2ccccc2F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3573 |
| logD: | 5.3573 |
| logSw: | -6.206 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | OHEKXUQTOYXQRY-UHFFFAOYSA-N |