Chemical ID: 6851331

COc1cc(cc(c1OC)Br)C2C(C(=C)Nc3n2nnn3)C(=O)N
Chemical ID:
6851331
Name [?]:
5-(3-bromo-4,5-dimethoxy-phenyl)-3-methylene-2,6,7,8,9-pentazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
COc1cc(cc(c1OC)Br)C2C(C(=C)Nc3n2nnn3)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15BrN6O3
All Atoms:39
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:7.64872
Area:507.495
Solvation:-5.03866
Coulombic:-57.2784
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.212
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.45
LogP (Chemaxon):0.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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