4-[4-[4-[4-[[(5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Oxolan-3-Yl]Methoxy]Phenyl]Piperazin-1-Yl]Phenyl]-2-[(2S,3S)-2-Hydroxypentan-3-Yl]-1,2,4-Triazol-3-One
[CAS# 177571-33-4]

Identification

• Name: 4-[4-[4-[4-[[(5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Oxolan-3-Yl]Methoxy]Phenyl]Piperazin-1-Yl]Phenyl]-2-[(2S,3S)-2-Hydroxypentan-3-Yl]-1,2,4-Triazol-3-One
• Synonyms: 4-[4-[4-[4-[[(5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Tetrahydrofuran-3-Yl]Methoxy]Phenyl]Piperazin-1-Yl]Phenyl]-2-[(1S,2S)-1-Ethyl-2-Hydroxy-Propyl]-1,2,4-Triazol-3-One; 4-[4-[4-[4-[[(5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)-3-Tetrahydrofuranyl]Methoxy]Phenyl]-1-Piperazinyl]Phenyl]-2-[(1S,2S)-1-Ethyl-2-Hydroxypropyl]-1,2,4-Triazol-3-One; D-Threo-Pentitol, 2,5-Anhydro-1,3,4-Trideoxy-2-C-(2,4-Difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-Etyl-2-Hydroxypropyl)-1,5-Dihydro-5-Oxo-4H-1,2,4-Triazol-4-Yl)Phenyl)-1-Piperazinyl)Phenoxy)Methyl)-1-(1H-1,2,4-Triazol-1-Yl)-
• Molecular Formula: C₃₇H₄₂F₂N₈O₄
• Molecular Weight: 700.79
• CAS Registry Number: 177571-33-4
• SMILES: [C@]2(C1=CC=C(C=C1F)F)(OCC(C2)COC3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)N6C=NN(C6=O)[C@H]([C@@H](O)C)CC)C[N]7N=CN=C7
• InChI: 1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27?,35-,37-/m0/s1
• InChIKey: RAGOYPUPXAKGKH-AGDNISCASA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 850.659°C at 760 mmHg (Cal.)
• Flash point: 468.262°C (Cal.)