Chemical ID: 4858504

CN1C(=O)C(=Cc2ccc(cc2)N(C)C)SC1=Nc3cccc(c3)C(=O)O
Chemical ID:
4858504
Name [?]:
3-[5-[(4-dimethylaminophenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)N(C)C)SC1=Nc3cccc(c3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1299
Area:582.779
Solvation:-3.43959
Coulombic:-58.1878
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:381.449
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.06
LogP (Chemaxon):3.29

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