Chemical ID: 4589884

CC=CCn1c2c(=O)[nH]c(=O)n(c2nc1NN=CC(=Cc3ccccc3)Br)C
Chemical ID:
4589884
Name [?]:
8-(2-bromo-3-phenyl-prop-2-enylidene)aminoamino-7-but-2-enyl-3-methyl-purine-2,6-dione
SMILES [?]:
CC=CCn1c2c(=O)[nH]c(=O)n(c2nc1NN=CC(=Cc3ccccc3)Br)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19BrN6O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.797
Area:593.946
Solvation:-3.05167
Coulombic:-64.9716
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:3
Rigid Segments:5
Chemical Properties
Molecular Weight:443.297
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.3
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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