2-(3-bromophenyl)-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]quinoline-4-carboxamide
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2-(3-bromophenyl)-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]quinoline-4-carboxamide
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CAS No:
729563-08-0
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Formula:
C26H20BrN5OS
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Chemical Name:
2-(3-bromophenyl)-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]quinoline-4-carboxamide
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Synonyms:
ZINC53389114;AKOS034464142;MCULE-3429327761;Z56893443;3-[2-(3-bromophenyl)quinoline-4-carbonyl]-1-(2-cyanoethyl)-1-[(pyridin-3-yl)methyl]thiourea;729563-08-0
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CAS No:
2-(3-bromophenyl)-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]quinoline-4-carboxamide Basic Attributes
530.4 g/mol
529.05719 g/mol
Computed Properties
Molecular Weight:530.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:529.05719
Monoisotopic Mass:529.05719
Topological Polar Surface Area:114
Heavy Atom Count:34
Complexity:757
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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