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4-[(2-Bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]benzenebutanamide

4-[(2-Bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]benzenebutanamide structure

CAS No:
13094-55-8
Formula:
C25H30BrN7O3
Chemical Name:
4-[(2-Bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]benzenebutanamide
Synonyms:
Benzenebutanamide,4-[(2-bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]-;Butyranilide,4-[p-(2-bromoacetamido)phenyl]-4′-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]-;Benzenebutanamide,4-[(bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]-;4-[(2-Bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]benzenebutanamide;NSC 211913

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4-[(2-Bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]benzenebutanamide Basic Attributes

Molecular Weight：

556.5 g/mol

Exact Mass：

556.45

NSC Number：

211913

DSSTox ID：

DTXSID30309412

Characteristics

PSA：

171 Å²

Computed Properties

Molecular Weight:556.5
XLogP3:2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:555.15935
Monoisotopic Mass:555.15935
Topological Polar Surface Area:171
Heavy Atom Count:36
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(2-Bromoacetyl)amino]-N-[4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]phenyl]benzenebutanamide

Basic Attributes
Characteristics
Computed Properties

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