2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | J047-0524 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 454.45 |
| Molecular Formula: | C17 H13 F3 N6 O2 S2 |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1nnc(C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3808 |
| logD: | 2.6995 |
| logSw: | -4.3265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.953 |
| InChI Key: | MKLOWXFYZWPBAS-UHFFFAOYSA-N |