[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7bbe45c7392a4a4a96a69e7e782e2985.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
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CAS No:
733043-31-7
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Formula:
C19H16F2N2O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
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Synonyms:
ZINC3320801;AKOS033617641;MCULE-3789510813;Z18407894;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2,6-difluorobenzoate;733043-31-7
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate Basic Attributes
390.4 g/mol
390.08496987 g/mol
Computed Properties
Molecular Weight:390.4
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:390.08496987
Monoisotopic Mass:390.08496987
Topological Polar Surface Area:107
Heavy Atom Count:27
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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