2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
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![2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7307ea242dd84741a9ce931e6e0155e8.png "2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid")
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
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CAS No:
680986-99-6
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Formula:
C15H11N3O3S
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Chemical Name:
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
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Synonyms:
680986-99-6;2-[({10-cyano-13-oxo-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaen-11-yl}methyl)sulfanyl]acetic acid;2-[({10-cyano-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]acetic acid;MLS001002404;CHEMBL1500530;HMS2745L17;ZINC2650682;AKOS008024203;MCULE-9758900224;NE59741;2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid;SMR000369005;EN300-08839;SR-01000052927;SR-01000052927-1;Z55928904;3-(Carboxymethylthiomethyl)-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile;2-[({10-cyano-13-oxo-1,8-diazatricyclo[7.4.0.0?,?]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]acetic acid
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CAS No:
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid Basic Attributes
313.3 g/mol
313.05211239 g/mol
Computed Properties
Molecular Weight:313.3
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:313.05211239
Monoisotopic Mass:313.05211239
Topological Polar Surface Area:119
Heavy Atom Count:22
Complexity:631
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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