4-{[(5-benzylthiophen-2-yl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(5-benzylthiophen-2-yl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-{[(5-benzylthiophen-2-yl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9832 |
| Compound Name: | 4-{[(5-benzylthiophen-2-yl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C15 H12 F2 N4 S2 |
| Smiles: | C(c1ccccc1)c1ccc(/C=N/n2c(C(F)F)nnc2S)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3137 |
| logD: | 2.821 |
| logSw: | -3.3816 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.097 |
| InChI Key: | MULVCASGDXVJBI-UHFFFAOYSA-N |