propan-2-yl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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propan-2-yl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
745029-23-6
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Formula:
C16H21N5O3S2
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Chemical Name:
propan-2-yl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
CHEMBL4529233;ZINC5860390;STL252696;AKOS022099545;MCULE-2968765259;Z18356378;745029-23-6;isopropyl 2-({[(3-amino-1H-1,2,4-triazol-5-yl)thio]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;propan-2-yl 2-({[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;propan-2-yl 2-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
propan-2-yl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
395.5 g/mol
395.10858190 g/mol
Computed Properties
Molecular Weight:395.5
XLogP3:3.8
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:524
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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