Chemical ID: 4449386

c1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Br)S2)C(=O)O
Chemical ID:
4449386
Name [?]:
3-[5-[[5-(4-bromophenyl)-2-furyl]methylene]-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Br)S2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H13BrN2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6363
Area:629.541
Solvation:-4.10225
Coulombic:-62.318
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:469.309
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.16
LogP (Chemaxon):4.87

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