CBKinase1_011709
2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_011709|CBKinase1_024109|BRD-K43733353-001-01-1|2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide|F0653-0179|2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide|2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide|2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide|2-[[(5Z)-4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H18F3N5OS |
|---|---|
| Molecular Weight | 445.1184 g/mol |
| LogP | 5.1959 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1184 |
| Monoisotopic Mass | 445.1184 |
| Heavy Atoms | 31 |
| Complexity | 1231.2114 |
Chemical Identifiers
| CAS Number | 832092-75-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CNC4=CC=CC=C43 |
Product Overview
CBKinase1_011709 (CAS 832092-75-8), with molecular formula C21H18F3N5OS and molecular weight 445.1184 g/mol. IUPAC: 2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
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