4-O-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b9018981455d4f39a0521cdafc8122af.png "4-O-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate")
4-O-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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CAS No:
561021-63-4
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Formula:
C21H23N3O5S
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Chemical Name:
4-O-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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Synonyms:
ZINC2661162;AKOS002443904;MCULE-7316211714;Z15669875;4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;561021-63-4
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CAS No:
4-O-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Basic Attributes
429.5 g/mol
429.13584202 g/mol
Computed Properties
Molecular Weight:429.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:429.13584202
Monoisotopic Mass:429.13584202
Topological Polar Surface Area:150
Heavy Atom Count:30
Complexity:723
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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