Chemical ID: 4797136

CCOc1ccc(cc1)C(=NNC(=O)c2c(n(nn2)c3c(non3)N)CN(C)c4ccccc4)C
Chemical ID:
4797136
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(4-ethoxyphenyl)ethylideneamino]-5-[(methyl-phenyl-amino)methyl]triazole-4-carboxamide
SMILES [?]:
CCOc1ccc(cc1)C(=NNC(=O)c2c(n(nn2)c3c(non3)N)CN(C)c4ccccc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25N9O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.4127
Area:694.789
Solvation:-4.95701
Coulombic:-60.7973
Bond Count [?]
All:38
Single:26
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:475.503
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.78
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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