[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6f7a073ef52e452d8b088a8e035fb5db.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
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CAS No:
556830-20-7
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Formula:
C20H19N3O7S2
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
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Synonyms:
ZINC3363207;AKOS033487467;MCULE-5715545635;Z16345065;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 4-methanesulfonyl-3-nitrobenzoate;556830-20-7
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Basic Attributes
477.5 g/mol
477.06644230 g/mol
Computed Properties
Molecular Weight:477.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:477.06644230
Monoisotopic Mass:477.06644230
Topological Polar Surface Area:196
Heavy Atom Count:32
Complexity:889
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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