N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-1503 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 496.89 |
| Molecular Formula: | C21 H16 Cl F3 N4 O3 S |
| Smiles: | Cn1c(c2cc3cccc(c3o2)OC)nnc1SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6899 |
| logD: | 4.6572 |
| logSw: | -5.0909 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.659 |
| InChI Key: | ZBMZGDCDQPYLCG-UHFFFAOYSA-N |