Chemical ID: 6122367

CCc1ccc(cc1)C=NNc2c(nns2)C(=O)OCC
Chemical ID:
6122367
Name [?]:
ethyl 5-[(4-ethylphenyl)methyleneaminoamino]thiadiazole-4-carboxylate
SMILES [?]:
CCc1ccc(cc1)C=NNc2c(nns2)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H16N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4641
Area:511.084
Solvation:-2.31302
Coulombic:-33.8102
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:304.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.81
LogP (Chemaxon):3.53

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