Chemical ID: 4219068

CCCCCCCCc1nnc(s1)NC(=O)c2ccccc2
Chemical ID:
4219068
Name [?]:
N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
SMILES [?]:
CCCCCCCCc1nnc(s1)NC(=O)c2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H23N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:12.0159
Area:582.33
Solvation:-2.54236
Coulombic:-28.2669
Bond Count [?]
All:23
Single:17
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:317.45
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.17
LogP (Chemaxon):4.31

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