1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one
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![1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8ced338753714b638a1b325ba9efddf7.png "1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one")
1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one
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CAS No:
98586-86-8
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Formula:
C26H32ClN3O8
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Chemical Name:
1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one
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Synonyms:
N,N-Bis(2-(2-butanoyl)-4-nitrophenoxyethyl)-N-(2-chloroethyl)amine; 1,1'-{[(2-chloroethyl)imino]bis[ethane-2,1-diyloxy(5-nitrobenzene-2,1-diyl)]}dibutan-1-one; 8-[(5'-amino-1'-methyl-3'-thiapentyl)amino]-6-methoxy-4-methyl-5-[m-(trifluoromethyl)phenoxy]quinoline; N,N-Bnpca;
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CAS No:
1-[2-[2-[2-(2-butanoyl-4-nitrophenoxy)ethyl-(2-chloroethyl)amino]ethoxy]-5-nitrophenyl]butan-1-one Basic Attributes
550.00100
465.16978274 g/mol
Drug Information
8-((5'-amino-1'-methyl-3'-thiapentyl)amino)-6-methoxy-4-methyl-5-((3-trifluoromethyl)phenoxy)quinoline
Computed Properties
Molecular Weight:465.5
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:465.16978274
Monoisotopic Mass:465.16978274
Topological Polar Surface Area:94.7
Heavy Atom Count:32
Complexity:571
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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