Pigment Red 146 (5280-68-2)

The Pigment Red 146, with the CAS registry number 5280-68-2, has the IUPAC name of (4Z)-N-(4-chloro-2,5-dimethoxyphenyl)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl] hydrazinylidene]-3-oxonaphthalene-2-carboxamide. And it belongs to the product categories of Organics, and it is usually applied in the coloration of painting, oil, plastic, and print paste.

The characteristics of this chemical are as below: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)#H bond acceptors: 10; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 127.35; (9)Index of Refraction: 1.641; (10)Molar Refractivity: 164.877 cm³; (11)Molar Volume: 457.007 cm³; (12)Polarizability: 65.362×10^-24 cm³; (13)Surface Tension: 49.856 dyne/cm; (14)Density: 1.337 g/cm³; (15)Exact Mass: 610.161912; (16)MonoIsotopic Mass: 610.161912; (17)Topological Polar Surface Area: 127; (18)Heavy Atom Count: 44; (19)Complexity: 1090.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NN=C3C4=CC=CC=C4C=C(C3=O)C(=O)NC5=CC(=C(C=C5OC)Cl)OC
(2)Isomeric SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N/N=C\3/C4=CC=CC=C4C=C(C3=O)C(=O)NC5=CC(=C(C=C5OC)Cl)OC
(3)InChI: InChI=1S/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-18-28(43-2)24(34)17-29(25)44-3/h4-18,37H,1-3H3,(H,35,40)(H,36,41)/b38-30-
(4)InChIKey: GBDJNEJIVMFTOJ-ZREQDNEKSA-N