[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
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![[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d5be234162c54f7a9a962ab9deb34a76.png "[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate")
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
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CAS No:
784161-70-2
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Formula:
C19H21NO4S
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Chemical Name:
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
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Synonyms:
MLS000335106;CHEMBL1533455;HMS2587P16;ZINC2645702;AKOS033653168;MCULE-8915234753;SMR000249864;Z18988360;2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 3-(phenylsulfanyl)propanoate;784161-70-2
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CAS No:
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate Basic Attributes
359.4 g/mol
359.11912932 g/mol
Computed Properties
Molecular Weight:359.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:359.11912932
Monoisotopic Mass:359.11912932
Topological Polar Surface Area:102
Heavy Atom Count:25
Complexity:490
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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