 Home > Encyclopedia > Benzenesulfonyl fluoride, 3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-, sulfate (2:1)

Benzenesulfonyl fluoride, 3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-, sulfate (2:1)

Benzenesulfonyl fluoride, 3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-, sulfate (2:1) structure

CAS No:
20111-24-4
Formula:
C26H22Cl2FN5O3S.¹/2H2O4S
Chemical Name:
Benzenesulfonyl fluoride, 3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-, sulfate (2:1)
Synonyms:
Benzenesulfonyl fluoride,3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-,sulfate (2:1);Benzenesulfonyl fluoride,m-[[p-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]benzyl]carbamoyl]-,sulfate (2:1);NSC 120936

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Benzenesulfonyl fluoride, 3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-, sulfate (2:1) Basic Attributes

Molecular Weight：

672.5 g/mol

Exact Mass：

671.0478240 g/mol

NSC Number：

120936

DSSTox ID：

DTXSID70329396

Characteristics

PSA：

232 Å²

Computed Properties

Molecular Weight:672.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:671.0478240
Monoisotopic Mass:671.0478240
Topological Polar Surface Area:232
Heavy Atom Count:43
Complexity:970
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Benzenesulfonyl fluoride, 3-[[[[4-[2-[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]ethyl]phenyl]methyl]amino]carbonyl]-, sulfate (2:1)

Basic Attributes
Characteristics
Computed Properties
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