 Home > Encyclopedia > Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)-

Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)-

Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)- structure

CAS No:
1022957-12-5
Formula:
C25H29ClN6O3
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)-
Synonyms:
compound 15 [PMID: 24900237];CHEMBL2042829;(1S,2S,3R,4R)-3-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide;GTPL8220;SCHEMBL2061630;BDBM50385590;Q27076273;(1S,2S,3R,4R)-3-[5-Chloro-2-(1-ethyl-6-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide;(1S,4R)-3alpha-[[5-Chloro-2-[(1-ethyl-2-oxo-6-methoxy-2,3,4,5-tetrahydro-1H-1-benzoazepine-7-yl)amino]-4-pyrimidinyl]amino]bicyclo[2.2.1]hepta-5-ene-2alpha-carboxamide;Bicyclo[2.2.1]hept-5-ene-2-carboxamide,3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-methoxy-2-oxo-1H-1-benzazepin-7-yl)amino]-4-pyriMidinyl]aMino]-,(1S,2S,3R,4R)-

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Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)- Basic Attributes

Molecular Weight：

496.98916

Exact Mass：

496.199

Characteristics

PSA：

123

XLogP3：

3.4

Density：

1.380±0.06 g/cm3(Predicted)

Melting Point：

202-208 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))

Computed Properties

Molecular Weight:497.0
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:496.1989665
Monoisotopic Mass:496.1989665
Topological Polar Surface Area:123
Heavy Atom Count:35
Complexity:829
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-amino-, (1S,2R,3S,4R)- (9CI) Formula

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Guide of Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)-

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

Bicyclo[2.2.1]hept-5-ene-2-carboxaMide, 3-[[5-chloro-2-[(1-ethyl-2,3,4,5-tetrahydro-6-Methoxy-2-oxo-1H-1-benzazepin-7-yl)aMino]-4-pyriMidinyl]aMino]-, (1S,2S,3R,4R)-

SDS

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