AC1LP6DI
4-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]benzoic acid
Also Known As: AM-807/41128600|4-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid|4-(((6-(tert-butyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)methyl)benzoic acid|4-({[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)benzoic acid|4-({[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoic acid|4-[[3-cyano-6-tert-butyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic Acid
| Molecular Formula | C19H17F3N2O2S |
|---|---|
| Molecular Weight | 394.09628 g/mol |
| LogP | 5.26008 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.09628 |
| Monoisotopic Mass | 394.09628 |
| Heavy Atoms | 27 |
| Complexity | 895.3866 |
Chemical Identifiers
| CAS Number | 445391-41-3 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=CC=C(C=C2)C(=O)O |
Product Overview
AC1LP6DI (CAS 445391-41-3), with molecular formula C19H17F3N2O2S and molecular weight 394.09628 g/mol. IUPAC: 4-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]benzoic acid.
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