Chemical ID: 4126214

CC1CCCCN1Cc2c(nnn2c3c(non3)N)C(=O)NN=Cc4ccc(c(c4)O)OC
Chemical ID:
4126214
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-hydroxy-4-methoxy-phenyl)methyleneamino]-5-[(2-methyl-1-piperidyl)methyl]triazole-4-carboxamide
SMILES [?]:
CC1CCCCN1Cc2c(nnn2c3c(non3)N)C(=O)NN=Cc4ccc(c(c4)O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H25N9O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:10.4769
Area:656.06
Solvation:-5.92456
Coulombic:-73.6661
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:455.471
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:2.96
LogP (Chemaxon):1.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue