ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-bromo-4-phenylthiophene-3-carboxylate
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ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-bromo-4-phenylthiophene-3-carboxylate
structure -
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CAS No:
745027-08-1
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Formula:
C17H16BrN5O3S2
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Chemical Name:
ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-bromo-4-phenylthiophene-3-carboxylate
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Synonyms:
CHEMBL4546135;ZINC2636819;AKOS033611250;MCULE-5304069263;Z18356275;745027-08-1;ethyl 2-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5-bromo-4-phenylthiophene-3-carboxylate
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CAS No:
ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-bromo-4-phenylthiophene-3-carboxylate Basic Attributes
482.4 g/mol
480.98779 g/mol
Computed Properties
Molecular Weight:482.4
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:480.98779
Monoisotopic Mass:480.98779
Topological Polar Surface Area:177
Heavy Atom Count:28
Complexity:555
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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