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4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid

4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid structure

CAS No:
85828-79-1
Formula:
C16H18N4O5S
Chemical Name:
4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid
Synonyms:
Butanoic acid,4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxo-;4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid;BTB 12149;3-([4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl)propanoic acid

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4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid Basic Attributes

Molecular Weight：

378.40300

Exact Mass：

378.40

EC Number：

288-606-3

DSSTox ID：

DTXSID90235107

Characteristics

PSA：

146.73000

XLogP3：

2.92430

Density：

1.465g/cm3

Melting Point：

226 °C

Refractive Index：

1.637

Computed Properties

Molecular Weight:378.4
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:378.09979086
Monoisotopic Mass:378.09979086
Topological Polar Surface Area:147
Heavy Atom Count:26
Complexity:588
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxobutanoic acid

Basic Attributes
Characteristics
Computed Properties
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