1-{5-(cycloheptylamino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-(cycloheptylamino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-(cycloheptylamino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D157-0064 |
| Compound Name: | 1-{5-(cycloheptylamino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 382.38 |
| Molecular Formula: | C18 H21 F3 N4 O2 |
| Smiles: | CC(c1c(NC2CCCCCC2)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.748 |
| logD: | 4.748 |
| logSw: | -4.4774 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.036 |
| InChI Key: | NCKDATMPBGMJNW-UHFFFAOYSA-N |