Azepan-1-Yl-[7-Chloro-4-Thiophen-2-Yl-2-(Trifluoromethyl)-1,5,9-Triazabicyclo[4.3.0]Nona-2,4,6,8-Tetraen-8-Yl]Methanone
[CAS# 5678-77-3]

Identification

• Name: Azepan-1-Yl-[7-Chloro-4-Thiophen-2-Yl-2-(Trifluoromethyl)-1,5,9-Triazabicyclo[4.3.0]Nona-2,4,6,8-Tetraen-8-Yl]Methanone
• Synonyms: Azepan-1-Yl-[3-Chloro-5-(2-Thienyl)-7-(Trifluoromethyl)Pyrazolo[1,5-A]Pyrimidin-2-Yl]Methanone; 1-Azepanyl-[3-Chloro-5-(2-Thienyl)-7-(Trifluoromethyl)-2-Pyrazolo[1,5-A]Pyrimidinyl]Methanone; Bas 00481812
• Molecular Formula: C₁₈H₁₆ClF₃N₄OS
• Molecular Weight: 428.86
• CAS Registry Number: 5678-77-3
• SMILES: C4=C(C2=NC1=C(C(=N[N]1C(=C2)C(F)(F)F)C(N3CCCCCC3)=O)Cl)SC=C4
• InChI: 1S/C18H16ClF3N4OS/c19-14-15(17(27)25-7-3-1-2-4-8-25)24-26-13(18(20,21)22)10-11(23-16(14)26)12-6-5-9-28-12/h5-6,9-10H,1-4,7-8H2
• InChIKey: RIYNNDAOGXNYFD-UHFFFAOYSA-N

Properties

• Density: 1.563g/cm³ (Cal.)