AC1NRJIB
3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide|3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxy-phenyl]adamantane-1-carboxamide|3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N-[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]-1-ADAMANTANECARBOXAMIDE|3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N-[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]ADAMANTANE-1-CARBOXAMIDE|3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C21H23BrF2N4O3 |
|---|---|
| Molecular Weight | 496.09216 g/mol |
| LogP | 4.5848 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.09216 |
| Monoisotopic Mass | 496.09216 |
| Heavy Atoms | 31 |
| Complexity | 1000.2611 |
Chemical Identifiers
| CAS Number | 7167-29-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC(F)F |
Product Overview
AC1NRJIB (CAS 7167-29-5), with molecular formula C21H23BrF2N4O3 and molecular weight 496.09216 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]adamantane-1-carboxamide.
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