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4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-(4-{5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Sulfanyl]-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl}Phenyl)Butanamide
[CAS# 107047-27-8]

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CAS#: 107047-27-8
Product: 4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-(4-{5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Sulfanyl]-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl}Phenyl)Butanamide
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Identification
Name 4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-(4-{5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Sulfanyl]-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl}Phenyl)Butanamide
Molecular Structure CAS#: 107047-27-8, 4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-(4-{5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Sulfanyl]-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl}Phenyl)Butanamide
Molecular Formula C40H50N8O3S
Molecular Weight 722.94
CAS Registry Number 107047-27-8
SMILES O=C(Nc1ccc(cc1)N5/N=C(/N2CCCC2)C(Sc4nnnn4c3ccccc3)C5=O)CCCOc6ccc(cc6C(C)(C)CC)C(C)(C)CC
InChI 1S/C40H50N8O3S/c1-7-39(3,4)28-18-23-33(32(27-28)40(5,6)8-2)51-26-14-17-34(49)41-29-19-21-31(22-20-29)47-37(50)35(36(43-47)46-24-12-13-25-46)52-38-42-44-45-48(38)30-15-10-9-11-16-30/h9-11,15-16,18-23,27,35H,7-8,12-14,17,24-26H2,1-6H3,(H,41,49)
InChIKey LTSDWZTVMYZZLM-UHFFFAOYSA-N
Properties
Density 1.245g/cm3 (Cal.)
Refractive index 1.642 (Cal.)
Market Analysis Reports
List of Reports Available for 4-[2,4-Bis(2-Methyl-2-Butanyl)Phenoxy]-N-(4-{5-Oxo-4-[(1-Phenyl-1H-Tetrazol-5-Yl)Sulfanyl]-3-(1-Pyrrolidinyl)-4,5-Dihydro-1H-Pyrazol-1-Yl}Phenyl)Butanamide
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