[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/433cb82975f14d04b0f885a285a35e32.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
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CAS No:
736958-11-5
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Formula:
C23H26N2O5S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
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Synonyms:
ZINC3248301;AKOS000862802;MCULE-4916038287;Z18747087;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 3,4-diethoxybenzoate;736958-11-5
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate Basic Attributes
442.5 g/mol
442.15624311 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:442.15624311
Monoisotopic Mass:442.15624311
Topological Polar Surface Area:126
Heavy Atom Count:31
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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