1-{5-(4-tert-butylanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-(4-tert-butylanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-(4-tert-butylanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0169 |
| Compound Name: | 1-{5-(4-tert-butylanilino)-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C21 H21 F3 N4 O2 |
| Smiles: | CC(c1c(Nc2ccc(cc2)C(C)(C)C)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9739 |
| logD: | 5.9739 |
| logSw: | -5.6455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.657 |
| InChI Key: | YRWCRMDEWWXQSZ-UHFFFAOYSA-N |