 Home > Encyclopedia > 2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile

2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile

2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile structure

CAS No:
86003-22-7
Formula:
C29H25N3O4
Chemical Name:
2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile
Synonyms:
4-Pyridinecarbonitrile, 2-(1-(12,13-dihydro-1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)ethyl)-, (R*,S*)-;86003-22-7;Ailanthoidine;DTXSID10235346

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2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile Basic Attributes

Molecular Weight：

479.5 g/mol

Exact Mass：

479.18450629 g/mol

DSSTox ID：

DTXSID10235346

Characteristics

PSA：

76.8 Å²

Computed Properties

Molecular Weight:479.5
XLogP3:5.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:479.18450629
Monoisotopic Mass:479.18450629
Topological Polar Surface Area:76.8
Heavy Atom Count:36
Complexity:833
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: pyrophosphate formula; smz tmp drug; hexanoate; methanal; formula carbon disulfide; dimethyl sulfone

Guide of 2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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