Chemical ID: 4638918

c1cc(ccc1C(=O)Nc2nnc(s2)c3ccc4c(c3)OCO4)Br
Chemical ID:
4638918
Name [?]:
N-(5-benzo[1,3]dioxol-5-yl-1,3,4-thiadiazol-2-yl)-4-bromo-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2nnc(s2)c3ccc4c(c3)OCO4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H10BrN3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.55545
Area:553.159
Solvation:-4.27354
Coulombic:-42.7293
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.239
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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