Chemical ID: 5567351

CN1C(=NC2=S1N(N=N2)c3ccc(cc3)Br)c4ccccc4
Chemical ID:
5567351
Name [?]:
4-(4-bromophenyl)-6-methyl-7-phenyl-5$l^{4}-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-2,7,9-triene
SMILES [?]:
CN1C(=NC2=S1N(N=N2)c3ccc(cc3)Br)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12BrN5S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.8133
Area:488.429
Solvation:-1.3974
Coulombic:-19.4068
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:374.259
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.77
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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