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1-(1-adamantylcarbonyl)-7-chloro-2-(3-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

1-(1-adamantylcarbonyl)-7-chloro-2-(3-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile structure

CAS No:
445462-72-6
Formula:
C29H26ClN3OS
Chemical Name:
1-(1-adamantylcarbonyl)-7-chloro-2-(3-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Synonyms:
1-(1-adamantylcarbonyl)-7-chloro-2-(3-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile;AM-807/12426128;ZINC8450991;STK539879;AKOS003681024;(1S,2R,3aR)-7-chloro-2-(thiophen-3-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile;445462-72-6

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1-(1-adamantylcarbonyl)-7-chloro-2-(3-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile Basic Attributes

Molecular Weight：

500.05424

Exact Mass：

499.149

Characteristics

PSA：

96.1

XLogP3：

6.1

Computed Properties

Molecular Weight:500.1
XLogP3:6.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:499.1485113
Monoisotopic Mass:499.1485113
Topological Polar Surface Area:96.1
Heavy Atom Count:35
Complexity:995
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1-adamantylcarbonyl)-7-chloro-2-(3-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Basic Attributes
Characteristics
Computed Properties

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