3-(1-benzothiophen-3-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(1-benzothiophen-3-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(1-benzothiophen-3-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6526 |
| Compound Name: | 3-(1-benzothiophen-3-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C19 H14 F3 N3 S2 |
| Smiles: | Cn1c(c2csc3ccccc23)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.335 |
| logD: | 5.335 |
| logSw: | -5.9643 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7976 |
| InChI Key: | UUMBQHKTUMZZLO-UHFFFAOYSA-N |