N-[5-({4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-[3-(hexylsulfanyl)-1H-1,2,4-triazol-1-yl]-4,4-dimethyl-3-oxopentanamide
[CAS# 79285-13-5]

Identification

• Name: N-[5-({4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-2-[3-(hexylsulfanyl)-1H-1,2,4-triazol-1-yl]-4,4-dimethyl-3-oxopentanamide
• Synonyms: N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-2-chlorophenyl]-α-(2,2-dimethylpropionyl)-3-(hexylthio)-1H-1,2,4-triazole-1-acetamide
• Molecular Formula: C₄₁H₆₀ClN₅O₄S
• Molecular Weight: 754.46
• CAS Registry Number: 79285-13-5
• EINECS: 279-127-0
• SMILES: O=C(Nc2cc(NC(=O)CCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC)ccc2Cl)C(C(=O)C(C)(C)C)n3cnc(SCCCCCC)n3
• InChI: 1S/C41H60ClN5O4S/c1-11-14-15-16-24-52-38-43-27-47(46-38)35(36(49)39(4,5)6)37(50)45-32-26-29(20-21-31(32)42)44-34(48)18-17-23-51-33-22-19-28(40(7,8)12-2)25-30(33)41(9,10)13-3/h19-22,25-27,35H,11-18,23-24H2,1-10H3,(H,44,48)(H,45,50)
• InChIKey: QOHXXQHCSTXTLH-UHFFFAOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)