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[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate

[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate structure

CAS No:
498568-67-5
Formula:
C28H18N4O5S
Chemical Name:
[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate
Synonyms:
ZINC2349456;STL000296;AKOS022094472;MCULE-3125363379;4-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl benzenesulfonate;498568-67-5

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[4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate Basic Attributes

Molecular Weight：

522.5 g/mol

Exact Mass：

522.09979086 g/mol

Characteristics

PSA：

129 Å²

Computed Properties

Molecular Weight:522.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:522.09979086
Monoisotopic Mass:522.09979086
Topological Polar Surface Area:129
Heavy Atom Count:38
Complexity:1040
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]phenyl] benzenesulfonate

Basic Attributes
Characteristics
Computed Properties
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