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ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate

ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate structure

CAS No:
149652-16-4
Formula:
C23H23N3O3
Chemical Name:
ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate
Synonyms:
Oprea1_344684;SCHEMBL4281457;STK834328;ZINC19205298;AKOS000548565;BIM-0028123.P001;ST50223395;ethyl 4-[2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))-2-cyanoacetylamino]b enzoate;(Z)-ethyl 4-(2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamido)benzoate;149652-16-4;ethyl 4-{[(2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetyl]amino}benzoate

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ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate Basic Attributes

Molecular Weight：

389.4 g/mol

Exact Mass：

389.17394160 g/mol

Characteristics

PSA：

91.2 Å²

Computed Properties

Molecular Weight:389.4
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:389.17394160
Monoisotopic Mass:389.17394160
Topological Polar Surface Area:91.2
Heavy Atom Count:29
Complexity:710
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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