1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
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![1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2da6810ce33042c194ccac1e7a4ad662.png "1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol")
1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
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CAS No:
98496-22-1
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Formula:
C22H27N5O5
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Chemical Name:
1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
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Synonyms:
7-(2-allylphenoxy)-2,2-dimethyl-6-hydroxy-1-(7-(4-nitrobenzo-2-oxa-1,3-diazolyl))-1,4-diazaheptane;alprenolol-NBD;Alprenolol-nbd;98496-22-1;Alp-NBD;2-Propanol, 1-((2-methyl-2-((7-nitro-4-benzofurazanyl)amino)propyl)amino)-3-(2-(2-propenyl)phenoxy)-;DTXSID90913251;2-Propanol, 1-((2-methyl-2-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)propyl)amino)-3-(2-(2-propenyl)phenoxy)-;1-({2-Methyl-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]propyl}amino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol;7-(2-Allylphenoxy)-2,2-dimethyl-6-hydroxy-1-(7-(4-nitrobenzo-2-oxa-1,3-diazolyl))-1,4-diazaheptane
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CAS No:
1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol Basic Attributes
441.5 g/mol
441.20121898 g/mol
Drug Information
7-(2-allylphenoxy)-2,2-dimethyl-6-hydroxy-1-(7-(4-nitrobenzo-2-oxa-1,3-diazolyl))-1,4-diazaheptane
Computed Properties
Molecular Weight:441.5
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:441.20121898
Monoisotopic Mass:441.20121898
Topological Polar Surface Area:138
Heavy Atom Count:32
Complexity:616
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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