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

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

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

CAS No:
469875-07-8
Formula:
C27H23N3O4S
Chemical Name:
[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
Synonyms:
469875-07-8;(E)-4-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate;4-[(1E)-2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOYL]-2-CYANOETH-1-EN-1-YL]PHENYL 4-METHYLBENZOATE;ZINC1773211;STK949281;AKOS002186164;[4-[(E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate;ST50077394;F0889-0311;4-{(1E)-2-[N-(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbamoyl]- 2-cyanovinyl}phenyl 4-methylbenzoate;4-{(1E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate

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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] 4-methylbenzoate Basic Attributes

Molecular Weight：

485.6 g/mol

Exact Mass：

485.14092740 g/mol

Characteristics

PSA：

151 Å²

Computed Properties

Molecular Weight:485.6
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:485.14092740
Monoisotopic Mass:485.14092740
Topological Polar Surface Area:151
Heavy Atom Count:35
Complexity:880
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] 4-methylbenzoate

Basic Attributes
Characteristics
Computed Properties
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