-
Name
4,4'-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methylnaphthalene-2-carboxamide]
- EINECS 291-530-3
- CAS No. 90427-34-2
- Density 1.51g/cm3
- Solubility
- Melting Point
- Formula C38H26Cl2N8O5
- Boiling Point
- Molecular Weight 745.56964
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4,4-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methylnaphthalene-2-carboxamide];4,4-[1,3,4-Oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methyl-2-naphthalenecarboxamide]
- PSA
- LogP
2-Naphthalenecarboxamide,4,4'-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methyl-(9CI) Specification
The 2-Naphthalenecarboxamide,4,4'-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methyl-(9CI), with CAS registry number 90427-34-2, has the systematic name of 4-[3-chloro-4-[5-[2-chloro-4-[[2-hydroxy-3-(methylcarbamoyl)-1-naphthyl]azo]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]azo-3-hydroxy-N-methyl-naphthalene-2-carboxamide. And the chemical formula of this chemical is C38H26Cl2N8O5.
Physical properties of 2-Naphthalenecarboxamide,4,4'-[1,3,4-oxadiazole-2,5-diylbis[(3-chloro-4,1-phenylene)azo]]bis[3-hydroxy-N-methyl-(9CI): (1)ACD/LogP: 9.07; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 9.07; (4)ACD/LogD (pH 7.4): 9.07; (5)#H bond acceptors: 13; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 187.02 Å2; (9)Index of Refraction: 1.735; (10)Molar Refractivity: 197.89 cm3; (11)Molar Volume: 493 cm3; (12)Polarizability: 78.45×10-24cm3; (13)Surface Tension: 61.4 dyne/cm; (14)Density: 1.51 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CNC(=O)c7cc1ccccc1c(N=Nc6ccc(c2nnc(o2)c3ccc(cc3Cl)N=Nc4c5ccccc5cc(C(=O)NC)c4O)c(Cl)c6)c7O
(2)InChI: InChI=1/C38H26Cl2N8O5/c1-41-35(51)27-15-19-7-3-5-9-23(19)31(33(27)49)45-43-21-11-13-25(29(39)17-21)37-47-48-38(53-37)26-14-12-22(18-30(26)40)44-46-32-24-10-6-4-8-20(24)16-28(34(32)50)36(52)42-2/h3-18,49-50H,1-2H3,(H,41,51)(H,42,52)
(3)InChIKey: LMSKJDIKEUAKDX-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C38H26Cl2N8O5/c1-41-35(51)27-15-19-7-3-5-9-23(19)31(33(27)49)45-43-21-11-13-25(29(39)17-21)37-47-48-38(53-37)26-14-12-22(18-30(26)40)44-46-32-24-10-6-4-8-20(24)16-28(34(32)50)36(52)42-2/h3-18,49-50H,1-2H3,(H,41,51)(H,42,52)
(5)Std. InChIKey: LMSKJDIKEUAKDX-UHFFFAOYSA-N
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