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[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate structure

CAS No:
731823-25-9
Formula:
C14H9IN2O3S
Chemical Name:
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
Synonyms:
ZINC3295965;AKOS033707195;MCULE-8620584716;Z19776092;[(3-cyanothiophen-2-yl)carbamoyl]methyl 4-iodobenzoate;731823-25-9

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[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate Basic Attributes

Molecular Weight：

412.20 g/mol

Exact Mass：

411.93786 g/mol

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:412.20
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:411.93786
Monoisotopic Mass:411.93786
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:443
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate

Basic Attributes
Characteristics
Computed Properties
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