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7-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione

7-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione structure

CAS No:
110390-84-6
Formula:
C23H28FN5O3
Chemical Name:
7-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione
Synonyms:
UNII-M69H5TDQ1K; Perbufylline; 7-(4-(4-(p-Fluorobenzoyl)piperidino)butyl)theophylline; Perbufylline [INN];

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7-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

441.49900

Exact Mass：

441.21761793

UNII：

M69H5TDQ1K

DSSTox ID：

DTXSID80149229

Characteristics

PSA：

82.13000

XLogP3：

1.88580

Density：

1.34g/cm3

Boiling Point：

647.3ºC at 760mmHg

Flash Point：

345.3ºC

Refractive Index：

1.644

Vapor Pressure：

1.21E-16mmHg at 25°C

Computed Properties

Molecular Weight:441.5
XLogP3:2.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:441.21761793
Monoisotopic Mass:441.21761793
Topological Polar Surface Area:78.8
Heavy Atom Count:32
Complexity:706
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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