Chemical ID: 4806245

c1cc(cc(c1)Br)C(=O)Nc2nnc(s2)COc3ccc(cc3)F
Chemical ID:
4806245
Name [?]:
3-bromo-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
c1cc(cc(c1)Br)C(=O)Nc2nnc(s2)COc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H11BrFN3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.11964
Area:565.366
Solvation:-5.01452
Coulombic:-37.2291
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.246
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):3.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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