Chemical ID: 5623006

COCCn1cnc2c1c(=O)n(c(=O)n2Cc3ccccc3)Cc4cccc(c4)C(F)(F)F
Chemical ID:
5623006
Name [?]:
3-benzyl-7-(2-methoxyethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
SMILES [?]:
COCCn1cnc2c1c(=O)n(c(=O)n2Cc3ccccc3)Cc4cccc(c4)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H21F3N4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0024
Area:617.516
Solvation:-4.43552
Coulombic:-77.4549
Bond Count [?]
All:36
Single:26
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:458.433
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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