N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: AK-968/40730308|N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide|N-(4-chloro-2,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide|N-(4-chloro-2,5-dimethoxy-phenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide|N-(4-chloro-2,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide|N~1~-(4-CHLORO-2,5-DIMETHOXYPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C21H25ClN4O3 |
|---|---|
| Molecular Weight | 416.16153 g/mol |
| LogP | 3.8829 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.16153 |
| Monoisotopic Mass | 416.16153 |
| Heavy Atoms | 29 |
| Complexity | 931.6529 |
Chemical Identifiers
| CAS Number | 445017-16-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5)OC)Cl |
Product Overview
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445017-16-3), with molecular formula C21H25ClN4O3 and molecular weight 416.16153 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide.