N-(2-Hydroxyethyl)-4-(6-((4-(trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide

• Catalog: OFC778274978
• CAS: 778274-97-8
• Category: Fluorinated Pyrimidines
• Synonyms: N-(2-hydroxyethyl)-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
• Purity: 98%
• MDL Number: MFCD29035151

• IUPAC Name: N-(2-hydroxyethyl)-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
• InChI: InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-7-5-15(6-8-16)27-18-11-17(25-12-26-18)13-1-3-14(4-2-13)19(29)24-9-10-28/h1-8,11-12,28H,9-10H2,(H,24,29)(H,25,26,27)
• InChI Key: DEGDCVFNFAOIPU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)NCCO

• Molecular Formula: C20H17F3N4O3
• Molecular Weight: 418.37
• Storage: Keep in dark place, sealed in dry, 2-8 °C

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 418.12527490 g/mol
• Monoisotopic Mass: 418.12527490 g/mol
• Topological Polar Surface Area: 96.4Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 536