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Home > Encyclopedia > 2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure

2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 

structure
  • CAS No:

    671200-45-6

  • Formula:

    C28H29N3O2S

  • Chemical Name:

    2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

  • Synonyms:

    2-((2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile;CHEMBL4519855;ZINC630362;AKOS000813053;MCULE-1638592271;AQ-750/42050595;F3394-0667;2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile Basic Attributes

471.61376

471.198

Characteristics

101

5.8

Computed Properties

Molecular Weight:471.6
XLogP3:5.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:471.19804835
Monoisotopic Mass:471.19804835
Topological Polar Surface Area:101
Heavy Atom Count:34
Complexity:814
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

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