Methyl 3-[2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate

• Catalog: OFC648860019-1
• CAS: 648860-01-9
• Category: Fluorinated Thiophenes
• Synonyms: methyl 3-[2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
• MDL Number: MFCD01763650

• IUPAC Name: methyl 3-[2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
• InChI: InChI=1S/C19H10ClF6N3O4S/c1-32-16(31)13-12(4-5-34-13)33-11-3-2-8(18(21,22)23)6-10(11)28-15(30)9-7-27-17(20)29-14(9)19(24,25)26/h2-7H,1H3,(H,28,30)
• InChI Key: FFWVURFLGXXZDK-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CN=C(N=C3C(F)(F)F)Cl

• Molecular Formula: C19H10ClF6N3O4S
• Molecular Weight: 525.81

• XLogP3-AA: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 524.9984736 g/mol
• Monoisotopic Mass: 524.9984736 g/mol
• Topological Polar Surface Area: 119Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 746