Chemical ID: 4359986

COc1ccc(cc1)N2C(=O)C(=C3c4ccccc4N(C3=O)Cc5ccccc5F)SC2=S
Chemical ID:
4359986
Name [?]:
1-[(2-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
COc1ccc(cc1)N2C(=O)C(=C3c4ccccc4N(C3=O)Cc5ccccc5F)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H17FN2O3S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.2161
Area:653.022
Solvation:-5.10946
Coulombic:-46.7251
Bond Count [?]
All:37
Single:24
Double:13
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:476.545
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):4.8

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