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5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide

5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide structure

CAS No:
31122-84-6
Formula:
C18H24I3N3O7
Chemical Name:
5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide
Synonyms:
5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide;5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl isophthalamide;5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodoisophthalamide;1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-

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5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide Basic Attributes

Molecular Weight：

775.11

Exact Mass：

774.8748 g/mol

Characteristics

PSA：

151 Å²

Density：

1.9601 (estimate)

Melting Point：

135-159 °C

Boiling Point：

923.0±65.0 °C(Predicted)

PKA：

12.15±0.70

Drug Information

MeSH Entry Terms：

5-acetamido-2,4,6-triiodo-N,N'-di-(2,3-dihydroxypropyl)-N,N'-dimethylisophthalamide

Computed Properties

Molecular Weight:775.1
XLogP3:-2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:774.8748
Monoisotopic Mass:774.8748
Topological Polar Surface Area:151
Heavy Atom Count:31
Complexity:601
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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