Chemical ID: 6851393

CCCOc1ccc(cc1C2C(C(=C)Nc3n2nnn3)C(=O)N)Br
Chemical ID:
6851393
Name [?]:
5-(5-bromo-2-propoxy-phenyl)-3-methylene-2,6,7,8,9-pentazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
CCCOc1ccc(cc1C2C(C(=C)Nc3n2nnn3)C(=O)N)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17BrN6O2
All Atoms:41
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.50685
Area:523.801
Solvation:-3.58819
Coulombic:-50.6121
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.239
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.58
LogP (Chemaxon):1.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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