[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c607d3f77a994a3a8b1084e61804092b.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
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CAS No:
733043-36-2
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Formula:
C20H19BrN2O3S
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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-bromophenyl)acetate
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Synonyms:
ZINC3320819;AKOS033644499;MCULE-4509219397;Z18829496;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-(4-bromophenyl)acetate;733043-36-2
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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-bromophenyl)acetate Basic Attributes
447.3 g/mol
446.02998 g/mol
Computed Properties
Molecular Weight:447.3
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:446.02998
Monoisotopic Mass:446.02998
Topological Polar Surface Area:107
Heavy Atom Count:27
Complexity:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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