4-O-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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![4-O-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7bab10fa9dcc4416b9d2ed13f4a910a9.png "4-O-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate")
4-O-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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CAS No:
571930-47-7
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Formula:
C22H25N3O5S
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Chemical Name:
4-O-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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Synonyms:
MLS000391457;CHEMBL1326747;HMS2649L23;ZINC2618462;AKOS033432386;MCULE-8359116830;SMR000260493;Z15669877;4-({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;571930-47-7
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CAS No:
4-O-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Basic Attributes
443.5 g/mol
443.15149208 g/mol
Computed Properties
Molecular Weight:443.5
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:443.15149208
Monoisotopic Mass:443.15149208
Topological Polar Surface Area:150
Heavy Atom Count:31
Complexity:738
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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