Chemical ID: 4126156

CC(=NNC(=O)c1c(n(nn1)c2c(non2)N)CN3CCCc4c3cccc4)c5ccc6ccccc6c5
Chemical ID:
4126156
Name [?]:
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(2-naphthyl)ethylideneamino]triazole-4-carboxamide
SMILES [?]:
CC(=NNC(=O)c1c(n(nn1)c2c(non2)N)CN3CCCc4c3cccc4)c5ccc6ccccc6c5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H25N9O2
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:14.2209
Area:739.543
Solvation:-4.2677
Coulombic:-54.6328
Bond Count [?]
All:43
Single:29
Double:14
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:507.547
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.91
LogP (Chemaxon):4.22

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