 Home > Encyclopedia > (6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline structure

CAS No:
162070-35-1
Formula:
C25H25ClN4
Chemical Name:
(6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Synonyms:
(5R,8S,10R)-2-Chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)ergoline;

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(6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline Basic Attributes

Molecular Weight：

416.94600

Exact Mass：

416.1767745

Characteristics

PSA：

36.85000

XLogP3：

5.28290

Density：

1.37g/cm3

Boiling Point：

644.7ºC

Flash Point：

343.7ºC

Refractive Index：

1.729

Vapor Pressure：

1.63E-16mmHg at 25°C

Computed Properties

Molecular Weight:416.9
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:416.1767745
Monoisotopic Mass:416.1767745
Topological Polar Surface Area:36.8
Heavy Atom Count:30
Complexity:610
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: chlorous acid; copper sulphide; ethanol msds; cyclohexanol; 9000/30; ribose 5 phosphate

Guide of (6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

Basic Attributes
Characteristics
Computed Properties

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