4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-{4-[4-{[1-(4-Hydroxyphenyl)-1H-Tetrazol-5-Yl]Sulfanyl}-5-Oxo-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl]Phenyl}Butanamide
[CAS# 107047-28-9]

Identification

• Name: 4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-{4-[4-{[1-(4-Hydroxyphenyl)-1H-Tetrazol-5-Yl]Sulfanyl}-5-Oxo-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl]Phenyl}Butanamide
• Synonyms: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(4-{4-[1-(4-hydroxyphenyl)(1,2,3,4-tetraazol-5-ylthio)]-5-oxo-3-pyrrolidinyl(2-pyrazolinyl)}phenyl)butanamide; N-[4-[4,5-Dihydro-4-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio]-5-oxo-3-pyrrolidino-1H-pyrazol-1-yl]phenyl]-4-(2,4-di-tert-pentylphenoxy)butyramide; 385867_ALDRICH
• Molecular Formula: C₄₀H₅₀N₈O₄S
• Molecular Weight: 738.94
• CAS Registry Number: 107047-28-9
• SMILES: O=C(Nc1ccc(cc1)N5/N=C(/N2CCCC2)C(Sc4nnnn4c3ccc(O)cc3)C5=O)CCCOc6ccc(cc6C(C)(C)CC)C(C)(C)CC
• InChI: 1S/C40H50N8O4S/c1-7-39(3,4)27-13-22-33(32(26-27)40(5,6)8-2)52-25-11-12-34(50)41-28-14-16-29(17-15-28)47-37(51)35(36(43-47)46-23-9-10-24-46)53-38-42-44-45-48(38)30-18-20-31(49)21-19-30/h13-22,26,35,49H,7-12,23-25H2,1-6H3,(H,41,50)
• InChIKey: CQPXMSQZGVZRIN-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Refractive index: 1.649 (Cal.)