1-{5-[4-(azepane-1-carbonyl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[4-(azepane-1-carbonyl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[4-(azepane-1-carbonyl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D216-0151 |
| Compound Name: | 1-{5-[4-(azepane-1-carbonyl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 487.48 |
| Molecular Formula: | C24 H24 F3 N5 O3 |
| Smiles: | CC(c1c(Nc2ccc(cc2)C(N2CCCCCC2)=O)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5875 |
| logD: | 4.5875 |
| logSw: | -4.2681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.636 |
| InChI Key: | VOFXDQVFWYEONQ-UHFFFAOYSA-N |