 Home > Encyclopedia > (1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

(1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

(1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide structure

CAS No:
1212478-90-4
Formula:
C19H20BrN3OS
Chemical Name:
(1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Synonyms:
ZINC2146083;STK686119;AKOS005600816;(1S,5R)-N-(2-bromo-4-methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide;1212478-90-4

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(1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide Basic Attributes

Molecular Weight：

418.4 g/mol

Exact Mass：

417.05105 g/mol

Characteristics

PSA：

67.7 Å²

Computed Properties

Molecular Weight:418.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:417.05105
Monoisotopic Mass:417.05105
Topological Polar Surface Area:67.7
Heavy Atom Count:25
Complexity:634
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,9R)-N-(2-bromo-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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