2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
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![2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3a1a888aa85b411c8fec8dcff9224aec.png "2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid")
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
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CAS No:
795293-78-6
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Formula:
C20H16FN3O5S
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Chemical Name:
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
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Synonyms:
MLS000760130;CHEMBL1564779;HMS2664C12;ZINC9491007;AKOS033543452;MCULE-7548926989;SMR000368552;Z16885970;2-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]-1-(4-fluorophenyl)-1H-imidazole-5-carboxylic acid;795293-78-6
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CAS No:
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid Basic Attributes
429.4 g/mol
429.07946996 g/mol
Computed Properties
Molecular Weight:429.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:429.07946996
Monoisotopic Mass:429.07946996
Topological Polar Surface Area:128
Heavy Atom Count:30
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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