3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(pentafluorophenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(pentafluorophenyl)adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(pentafluorophenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-9599 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(pentafluorophenyl)adamantane-1-carboxamide |
| Molecular Weight: | 446.81 |
| Molecular Formula: | C19 H16 Cl F5 N4 O |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1c(c(c(c(c1F)F)F)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.594 |
| logD: | -0.9784 |
| logSw: | -4.7627 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.299 |
| InChI Key: | WERLURZLUWJOSE-UHFFFAOYSA-N |