Chemical ID: 5799324

c1ccc(c(c1)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCCCCC4)O
Chemical ID:
5799324
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(2-hydroxyphenyl)methyleneamino]triazole-4-carboxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCCCCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H23N9O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.353
Area:622.229
Solvation:-4.20274
Coulombic:-67.7035
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:425.445
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.95
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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