[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2d1039f1168f4815bee1a4eb5f7be119.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
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CAS No:
895102-73-5
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Formula:
C20H17N3O3S2
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
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Synonyms:
ZINC2644716;AKOS033419687;MCULE-4364092872;SR-01000055877;SR-01000055877-1;Z15485774;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 1,3-benzothiazole-6-carboxylate;895102-73-5
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Basic Attributes
411.5 g/mol
411.07113376 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:411.07113376
Monoisotopic Mass:411.07113376
Topological Polar Surface Area:149
Heavy Atom Count:28
Complexity:652
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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