Chemical ID: 7027207

c1ccc(c(c1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCCC4)F
Chemical ID:
7027207
Name [?]:
4-(4-azepan-1-ylsulfonylphenyl)-N-[(2-fluorophenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
c1ccc(c(c1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCCC4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23FN4O2S2
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.7795
Area:665.911
Solvation:-3.86833
Coulombic:-29.2188
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:458.574
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.65
LogP (Chemaxon):5.53

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