Chemical ID: 5297605

CCOc1ccccc1C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN(C)C4CCCCC4
Chemical ID:
5297605
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyclohexyl-methyl-amino)methyl]-N-[(2-ethoxyphenyl)methyleneamino]triazole-4-carboxamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2c(n(nn2)c3c(non3)N)CN(C)C4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H29N9O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.9342
Area:691.978
Solvation:-4.36528
Coulombic:-59.8597
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:467.525
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.3
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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