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1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione,dihydrochloride

1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione,dihydrochloride structure

CAS No:
87798-87-6
Formula:
C23H31Cl2F3N6O2
Chemical Name:
1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione,dihydrochloride

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1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione,dihydrochloride Basic Attributes

Molecular Weight：

551.43200

Exact Mass：

550.1837641

DSSTox ID：

DTXSID00236640

Characteristics

PSA：

68.30000

XLogP3：

4.05190

Boiling Point：

635.4ºC

Flash Point：

338.1ºC

Computed Properties

Molecular Weight:551.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:550.1837641
Monoisotopic Mass:550.1837641
Topological Polar Surface Area:64.9
Heavy Atom Count:36
Complexity:730
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione,dihydrochloride

Basic Attributes
Characteristics
Computed Properties

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