Chemical ID: 6452937

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(cc(c3O)Br)Cl)S2)c4ccc(cc4)CC
Chemical ID:
6452937
Name [?]:
5-[(3-bromo-5-chloro-2-hydroxy-phenyl)methylene]-3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(cc(c3O)Br)Cl)S2)c4ccc(cc4)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H22BrClN2O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.7784
Area:661.16
Solvation:-2.75057
Coulombic:-43.0259
Bond Count [?]
All:36
Single:24
Double:12
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:541.888
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.62
LogP (Chemaxon):9.03

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