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[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate

[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate structure

CAS No:
733006-80-9
Formula:
C18H15IN2O3S
Chemical Name:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
Synonyms:
ZINC3313866;AKOS033707192;MCULE-3600707248;Z19776084;[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 4-iodobenzoate;733006-80-9

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[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate Basic Attributes

Molecular Weight：

466.3 g/mol

Exact Mass：

465.98481 g/mol

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:466.3
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:465.98481
Monoisotopic Mass:465.98481
Topological Polar Surface Area:107
Heavy Atom Count:25
Complexity:556
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate

Basic Attributes
Characteristics
Computed Properties
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