ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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CAS No:
511278-34-5
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Formula:
C16H21N5O3S2
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Chemical Name:
ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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Synonyms:
511278-34-5;ethyl 2-(2-((5-amino-1H-1,2,4-triazol-3-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ZINC6783914;AKOS000813026;MCULE-6007448682;ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;VU0618225-1;SR-01000272625;SR-01000272625-1;F3394-0782;Z275023326;ethyl 2-{2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
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CAS No:
ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Basic Attributes
395.5 g/mol
395.10858190 g/mol
Computed Properties
Molecular Weight:395.5
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:395.10858190
Monoisotopic Mass:395.10858190
Topological Polar Surface Area:177
Heavy Atom Count:26
Complexity:512
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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