[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,5-dichlorobenzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,5-dichlorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2b8242243da247f5a3841cf1525a8a96.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,5-dichlorobenzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,5-dichlorobenzoate
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CAS No:
733043-30-6
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Formula:
C19H16Cl2N2O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,5-dichlorobenzoate
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Synonyms:
ZINC3320799;AKOS033616759;MCULE-8991290667;Z18400089;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2,5-dichlorobenzoate;733043-30-6
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,5-dichlorobenzoate Basic Attributes
423.3 g/mol
422.0258689 g/mol
Computed Properties
Molecular Weight:423.3
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:422.0258689
Monoisotopic Mass:422.0258689
Topological Polar Surface Area:107
Heavy Atom Count:27
Complexity:611
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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