4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4323 |
| Compound Name: | 4-ethyl-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 373.51 |
| Molecular Formula: | C19 H20 F N3 S2 |
| Smiles: | CCn1c(c2csc3CCCCc23)nnc1SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.9709 |
| logD: | 4.968 |
| logSw: | -4.7032 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9044 |
| InChI Key: | VMGJPKRONZTCCX-UHFFFAOYSA-N |