Chemical ID: 5673217

CC[NH+](CC)Cc1c(nnn1c2c(non2)N)C(=O)NN=Cc3cc(c(c(c3)C(C)(C)C)[O-])C(C)(C)C
Chemical ID:
5673217
Name [?]:
4-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylammoniomethyl)triazol-4-yl]carbonylaminoiminomethyl]-2,6-ditert-butyl-phenolate
SMILES [?]:
CC[NH+](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:-34.9604
Area:718.88
Solvation:-52.9324
Coulombic:-13.0312
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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