[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/daf275fd4dc04c6daca2494d9231ac71.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
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CAS No:
733043-49-7
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Formula:
C22H24N2O6S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
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Synonyms:
ZINC3320849;AKOS033642399;MCULE-5767732747;Z18773947;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2,4,5-trimethoxybenzoate;733043-49-7
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Basic Attributes
444.5 g/mol
444.13550766 g/mol
Computed Properties
Molecular Weight:444.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:444.13550766
Monoisotopic Mass:444.13550766
Topological Polar Surface Area:135
Heavy Atom Count:31
Complexity:682
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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