N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-7534 |
| Compound Name: | N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 408.4 |
| Molecular Formula: | C20 H20 F4 N4 O |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cncn1)C(Nc1cc(ccc1F)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8476 |
| logD: | 4.1989 |
| logSw: | -5.1133 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.152 |
| InChI Key: | MNRSJMXQOMXGGV-UHFFFAOYSA-N |