Chemical ID: 4823977

CCN(CC)Cc1c(nnn1c2c(non2)N)C(=O)NN=Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C
Chemical ID:
4823977
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(4-hydroxy-3,5-ditert-butyl-phenyl)methyleneamino]triazole-4-carboxamide
SMILES [?]:
CCN(CC)Cc1c(nnn1c2c(non2)N)C(=O)NN=Cc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H37N9O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:14.0165
Area:720.0
Solvation:-3.98354
Coulombic:-68.5363
Bond Count [?]
All:39
Single:30
Double:9
Rotors:11
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:511.62
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:5.78
LogP (Chemaxon):4.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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