Chemical ID: 4630946

COc1cccc(c1)C(=O)Nc2nnc(s2)c3ccc4c(c3)OCO4
Chemical ID:
4630946
Name [?]:
N-(5-benzo[1,3]dioxol-5-yl-1,3,4-thiadiazol-2-yl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2nnc(s2)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.17126
Area:558.127
Solvation:-5.78193
Coulombic:-48.9217
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:355.369
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.85
LogP (Chemaxon):2.75

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