4-ethyl-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-ethyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
4-ethyl-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: | Y205-6397 |
| Compound Name: | 4-ethyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 423.52 |
| Molecular Formula: | C20 H20 F3 N3 S2 |
| Smiles: | CCn1c(c2csc3CCCCc23)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9762 |
| logD: | 5.9733 |
| logSw: | -5.8797 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9044 |
| InChI Key: | KVMVSJVZIKGIHL-UHFFFAOYSA-N |