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2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile

2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile structure

CAS No:
690642-68-3
Formula:
C23H22N2O4S
Chemical Name:
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Synonyms:
2-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile;690642-68-3;ChemDiv3_006558;HMS1491K02;ZINC2846520;AKOS000813040;CCG-117648;MCULE-6307602360;IDI1_024468;2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile;BRD-K48241513-001-01-7;F3394-0664

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2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Basic Attributes

Molecular Weight：

422.5 g/mol

Exact Mass：

422.13002836 g/mol

Characteristics

PSA：

115 Å²

Computed Properties

Molecular Weight:422.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:422.13002836
Monoisotopic Mass:422.13002836
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:732
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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