3-Pyridinecarboxami...

3-Pyridinecarboxamide,5-bromo-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-,sodium salt (1:1)(CAS No. 54916-25-5)

3-Pyridinecarboxamide,5-bromo-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-,sodium salt (1:1)(CAS No. 54916-25-5)

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3-Pyridinecarboxamide,5-bromo-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-me 54916-25-5 98%

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  • Appearance:Solid
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Details:

【Name】
3-Pyridinecarboxamide,5-bromo-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-,sodium salt (1:1)
【CAS Registry number】
54916-25-5
【Synonyms】
3-Pyridinecarboxamide,5-bromo-N-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-,monosodium salt (9CI)
【Molecular Formula】
C22H27 Br N4 O5 S . Na (Products with the same molecular formula)
【Molecular Weight】
539.4426
【Inchi】
InChI=1/C22H27BrN4O5S/c1-32-21-19(13-16(23)14-25-21)20(28)24-12-11-15-7-9-18(10-8-15)33(30,31)27-22(29)26-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,28)(H2,26,27,29)
【Canonical SMILES】
COC1=NC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3)Br.[Na]
【Isomers smiles】
COC1=NC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3)Br.[Na]
Chemical and Physical Properties
【Density】
1.5g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.632
【Flash Point】
°C
【Computed Properties】
Molecular Weight:562.43235 [g/mol]
Molecular Formula:C22H27BrN4NaO5S
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:8
Tautomer Count:6
Exact Mass:561.078323
MonoIsotopic Mass:561.078323
Topological Polar Surface Area:135
Heavy Atom Count:34
Formal Charge:0
Complexity:748
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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