methyl N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-β-alaninate (61355-92-8)

This chemical is called Disperse Red 278, and its IUPAC name is methyl 3-[3-acetamido-N-(3-methoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate. With the molecular formula of C₂₂H₂₅N₅O₇, its molecular weight is 471.46. In addition, the CAS registry number of this chemical is 61355-92-8, and its product category is Organic.

Other characteristics of the Disperse Red 278 can be summarised as followings: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61 ; (5)#H bond acceptors: 12; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 155.48 Å²; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 122.39 cm³; (11)Molar Volume: 361.8 cm³; (12)Polarizability: 48.52×10^-24cm³; (13)Surface Tension: 50.7 dyne/cm; (14)Density: 1.3 g/cm³; (15)Flash Point: 368.9°C; (16)Enthalpy of Vaporization: 100.64 kJ/mol; (17)Boiling Point: 686.4 °C at 760 mmHg; (18)Vapour Pressure: 1.08E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)CCN(CCC(=O)OC)c2ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c(c2)NC(C)=O
(2)InChI: InChI=1/C22H25N5O7/c1-15(28)23-20-14-18(26(12-10-21(29)33-2)13-11-22(30)34-3)8-9-19(20)25-24-16-4-6-17(7-5-16)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)
(3)InChIKey: BYMNHMLASYXHRV-UHFFFAOYAT