AC1LXIRH
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: AK-777/37037093|2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide|2-[3-cyano-6-methyl-4-(trifluoromethyl)(2-pyridylthio)]-N-(5-nitrobenzothiazol -2-yl)acetamide|2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide|2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitrobenzothiazol-2-yl)acetamide|2-{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-{5-nitro-1,3-benzothiazol-2-yl}acetamide|2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[(2E)-5-nitro-1,3-benzothiazol-2(3H)-ylidene]acetamide
| Molecular Formula | C17H10F3N5O3S2 |
|---|---|
| Molecular Weight | 453.01773 g/mol |
| LogP | 4.5292 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.01773 |
| Monoisotopic Mass | 453.01773 |
| Heavy Atoms | 30 |
| Complexity | 1203.7925 |
Chemical Identifiers
| CAS Number | 330180-85-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N)C(F)(F)F |
Product Overview
AC1LXIRH (CAS 330180-85-3), with molecular formula C17H10F3N5O3S2 and molecular weight 453.01773 g/mol. IUPAC: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide.
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