Benzenesulfonic acid,4-fluoro-, 2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl ester (90509-02-7)

The CAS register number of Luxabendazole is 90509-02-7. It also can be called as Methyl 5-hydroxy-2-benzimidazolecarbamate p-fluorobenzenesulfonate and the IUPAC name about this chemical is 2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate. The molecular formula about this chemical is C₁₅H₁₂FN₃O₅S and molecular weight is 365.33.

Physical properties about Luxabendazole are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 60.99; (5)ACD/BCF (pH 7.4): 60.72; (6)ACD/KOC (pH 5.5): 652.15; (7)ACD/KOC (pH 7.4): 649.26; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 99.11Ų; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 86.17 cm³; (14)Molar Volume: 232.4 cm³; (15)Polarizability: 34.16x10^-24cm³; (16)Surface Tension: 72.7 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)S(=O)(=O)Oc3cc2c(nc(n2)NC(=O)OC)cc3
(2)InChI: InChI=1/C15H12FN3O5S/c1-23-15(20)19-14-17-12-7-4-10(8-13(12)18-14)24-25(21,22)11-5-2-9(16)3-6-11/h2-8H,1H3,(H2,17,18,19,20)
(3)InChIKey: ZVIDWFUBDDXAJA-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C15H12FN3O5S/c1-23-15(20)19-14-17-12-7-4-10(8-13(12)18-14)24-25(21,22)11-5-2-9(16)3-6-11/h2-8H,1H3,(H2,17,18,19,20)
(5)Std. InChIKey: ZVIDWFUBDDXAJA-UHFFFAOYSA-N