3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V004-7517 |
| Compound Name: | 3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 427.9 |
| Molecular Formula: | C22 H16 Cl F2 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)[Cl])SCc1ccc(c(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8567 |
| logD: | 5.8567 |
| logSw: | -6.2002 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | QELVMKQFDSNKOP-UHFFFAOYSA-N |