[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6258e17dd3d144a88095bcdc27aaa073.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
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CAS No:
734534-99-7
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Formula:
C27H25N3O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
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Synonyms:
ZINC3361554;AKOS033662363;MCULE-3494145305;Z19136170;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-({[1,1'-biphenyl]-4-yl}formamido)acetate;734534-99-7
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate Basic Attributes
487.6 g/mol
487.15657746 g/mol
Computed Properties
Molecular Weight:487.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:487.15657746
Monoisotopic Mass:487.15657746
Topological Polar Surface Area:137
Heavy Atom Count:35
Complexity:798
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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