2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid
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![2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4cbb3fb7a87c413aa679ff66204243df.png "2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid")
2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid
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CAS No:
1820575-97-0
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Formula:
C19H19N3O4
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Chemical Name:
2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid
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Synonyms:
MLS001139340;CHEMBL1734258;HMS2267P14;1820575-97-0;ZINC2095849;AKOS030497887;SMR000647246;AB00864137-06;2-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0,2,7]trideca-2,4-diene-11-carbonyl]amino}benzoic acid
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CAS No:
2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]benzoic acid Basic Attributes
353.4 g/mol
353.13755610 g/mol
Computed Properties
Molecular Weight:353.4
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:353.13755610
Monoisotopic Mass:353.13755610
Topological Polar Surface Area:90
Heavy Atom Count:26
Complexity:686
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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