Chemical ID: 6177395

c1ccc2c(c1)nc(s2)c3cc(ccc3O)NC(=O)c4ccc(s4)Br
Chemical ID:
6177395
Name [?]:
N-(3-benzothiazol-2-yl-4-hydroxy-phenyl)-5-bromo-thiophene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)nc(s2)c3cc(ccc3O)NC(=O)c4ccc(s4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H11BrN2O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3865
Area:573.591
Solvation:-2.95332
Coulombic:-45.2388
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:431.328
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):5.37

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