3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-7159 |
| Compound Name: | 3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 439.89 |
| Molecular Formula: | C22 H15 Cl F N3 O2 S |
| Smiles: | C1Oc2cc(CSc3nnc(c4cccc(c4)F)n3c3ccccc3)c(cc2O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0823 |
| logD: | 6.0823 |
| logSw: | -6.3661 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.828 |
| InChI Key: | PINLUNBGGIAWDA-UHFFFAOYSA-N |