 Home > Encyclopedia > [4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate

[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate

[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate structure

CAS No:
469875-04-5
Formula:
C26H21N3O4S
Chemical Name:
[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate
Synonyms:
469875-04-5;(E)-4-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl benzoate;4-[(1E)-2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]-2-CYANOETH-1-EN-1-YL]PHENYL BENZOATE;ZINC1773203;MFCD02364636;STK867434;AKOS002186151;[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate;ST50077393;F0889-0304;4-{(1E)-2-[N-(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbamoyl]- 2-cyanovinyl}phenyl benzoate;4-{(1E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl benzoate

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[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate Basic Attributes

Molecular Weight：

471.5 g/mol

Exact Mass：

471.12527733 g/mol

Characteristics

PSA：

151 Å²

Computed Properties

Molecular Weight:471.5
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:471.12527733
Monoisotopic Mass:471.12527733
Topological Polar Surface Area:151
Heavy Atom Count:34
Complexity:851
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

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