[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7da9b5cfda584bb4b022b2f629da6ea1.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
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CAS No:
730243-99-9
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Formula:
C21H23N3O5S2
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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-methylphenyl)sulfonylamino]acetate
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Synonyms:
ZINC3293959;AKOS033663158;MCULE-2457083703;Z19153587;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-(4-methylbenzenesulfonamido)acetate;730243-99-9
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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-methylphenyl)sulfonylamino]acetate Basic Attributes
461.6 g/mol
461.10791319 g/mol
Computed Properties
Molecular Weight:461.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:461.10791319
Monoisotopic Mass:461.10791319
Topological Polar Surface Area:162
Heavy Atom Count:31
Complexity:796
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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