3-(1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]adamantane-1-carboxamide
Chemical Structure Depiction of
3-(1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]adamantane-1-carboxamide
3-(1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y509-3481 |
| Compound Name: | 3-(1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]adamantane-1-carboxamide |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C20 H21 F3 N4 O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cncn1)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7711 |
| logD: | 4.7709 |
| logSw: | -4.9584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.787 |
| InChI Key: | KQEMHFNKURCIHF-UHFFFAOYSA-N |