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[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate

[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate structure

CAS No:
731783-91-8
Formula:
C25H21F2N3O5
Chemical Name:
[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
Synonyms:
MLS002248143;CHEMBL1735470;HMS3082A14;ZINC3354951;AKOS000859270;MCULE-2708053971;SMR001315622;AB00717904-01;Z18635847;2-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 4-(2-cyanoacetamido)benzoate;731783-91-8

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[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Basic Attributes

Molecular Weight：

481.4 g/mol

Exact Mass：

481.14492710 g/mol

Characteristics

PSA：

110 Å²

Water Solubility：

1.7 [ug/mL]

Computed Properties

Molecular Weight:481.4
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:481.14492710
Monoisotopic Mass:481.14492710
Topological Polar Surface Area:110
Heavy Atom Count:35
Complexity:800
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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