methyl 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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methyl 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
721901-10-6
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Formula:
C19H19N5O3S
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Chemical Name:
methyl 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC3259970;AKOS034438085;MCULE-3618833092;Z53789530;721901-10-6;methyl 2-[2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
methyl 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
397.5 g/mol
397.12086066 g/mol
Computed Properties
Molecular Weight:397.5
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:397.12086066
Monoisotopic Mass:397.12086066
Topological Polar Surface Area:127
Heavy Atom Count:28
Complexity:574
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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