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ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate

ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate structure

CAS No:
332050-50-7
Formula:
C15H18N2O3S
Chemical Name:
ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate
Synonyms:
SMR000009653;Oprea1_150602;Oprea1_810316;MLS000029642;IFLab1_004882;CHEMBL1605619;HMS1425N20;HMS2311O09;STL353004;AKOS000526682;CCG-112346;MCULE-8064221150;IDI1_010637;ethyl [(3-cyano-4-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]acetate;(3-Cyano-4-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinolin-2-ylsulfanyl)-acetic acid ethyl ester;332050-50-7

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ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate Basic Attributes

Molecular Weight：

306.4 g/mol

Exact Mass：

306.10381361 g/mol

Characteristics

PSA：

105 Å²

Computed Properties

Molecular Weight:306.4
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:306.10381361
Monoisotopic Mass:306.10381361
Topological Polar Surface Area:105
Heavy Atom Count:21
Complexity:583
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[(3-cyano-4-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate

Basic Attributes
Characteristics
Computed Properties
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