Chemical ID: 5799115

c1cc(cc(c1)Cl)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCCCCC4
Chemical ID:
5799115
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3-chlorophenyl)methyleneamino]triazole-4-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN4CCCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H22ClN9O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6536
Area:644.891
Solvation:-3.46865
Coulombic:-52.3714
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.89
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.98
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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