![butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate structure](/static/products/4450/445016-75-1.webp)
butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
butyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate
Also Known As: AK-968/40729791|butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate|butyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate|butyl 4-(3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamido)benzoate|butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)benzoate
CAS: 445016-75-1
| Molecular Formula | C24H29BrN4O3 |
|---|---|
| Molecular Weight | 500.1423 g/mol |
| LogP | 4.9317 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.1423 |
| Monoisotopic Mass | 500.1423 |
| Heavy Atoms | 32 |
| Complexity | 1004.5066 |
Chemical Identifiers
| CAS Number | 445016-75-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br |
Product Overview
butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate (CAS 445016-75-1), with molecular formula C24H29BrN4O3 and molecular weight 500.1423 g/mol. IUPAC: butyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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