4-propyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-propyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
4-propyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2565 |
| Compound Name: | 4-propyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 437.55 |
| Molecular Formula: | C21 H22 F3 N3 S2 |
| Smiles: | CCCn1c(c2csc3CCCCc23)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.4336 |
| logD: | 6.4327 |
| logSw: | -6.0453 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1581 |
| InChI Key: | STXFUMHGWSZNBE-UHFFFAOYSA-N |