2-Methyl-N'-{[4-(oxiran-2-ylmethoxy)phenyl]methylene}-6-(trifluoromethyl)nicotinohydrazide

• Catalog: OFC1980008283
• CAS: 1980008-28-3
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2-Methyl-N-[(E)-[4-(oxiran-2-ylmethoxy)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide
• MDL Number: MFCD01313716

• IUPAC Name: 2-methyl-N-[(E)-[4-(oxiran-2-ylmethoxy)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide
• InChI: InChI=1S/C18H16F3N3O3/c1-11-15(6-7-16(23-11)18(19,20)21)17(25)24-22-8-12-2-4-13(5-3-12)26-9-14-10-27-14/h2-8,14H,9-10H2,1H3,(H,24,25)/b22-8+
• InChI Key: BTGLVKQIDGZKQU-GZIVZEMBSA-N
• Isomeric SMILES: CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N/N=C/C2=CC=C(C=C2)OCC3CO3

• Molecular Formula: C18H16F3N3O3
• Molecular Weight: 379.33

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 379.11437587 g/mol
• Monoisotopic Mass: 379.11437587 g/mol
• Topological Polar Surface Area: 76.1Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 536