The Butanamide,2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxo-, with the CAS registry number 31775-20-9, is also known as Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(N-(4-ethoxyphenyl)-3-oxo-. This chemical's molecular formula is C36H34Cl2N6O6 and molecular weight is 717.59776. Its IUPAC name is called 2,2'-((3,3'-Dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(N-(4-ethoxyphenyl)-3-oxobutyramide).
Physical properties of Butanamide,2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxo-: (1)ACD/LogP: 9.74; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.89; (4)ACD/LogD (pH 7.4): 6.25; (5)ACD/BCF (pH 5.5): 20995.88; (6)ACD/BCF (pH 7.4): 4814.32; (7)ACD/KOC (pH 5.5): 6677.7; (8)ACD/KOC (pH 7.4): 1531.19; (9)#H bond acceptors: 12; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 191.24 cm3; (14)Molar Volume: 542 cm3; (15)Surface Tension: 48.7 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 473.2 °C; (18)Enthalpy of Vaporization: 124.8 kJ/mol; (19)Boiling Point: 858.8 °C at 760 mmHg; (20)Vapour Pressure: 7.54E-30 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2/N=N/C(C(=O)C)C(=O)Nc1ccc(OCC)cc1)c4ccc(/N=N/C(C(=O)C)C(=O)Nc3ccc(OCC)cc3)c(Cl)c4
(2)InChI: InChI=1/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)/b43-41+,44-42+
(3)InChIKey: LNBRYDZEIVHGHO-CHQNLTHEBU
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