Chemical ID: 4406635

CCCCOc1cccc(c1)C=C2C(=O)N=C(S2)Nc3cccc(c3)C(=O)O
Chemical ID:
4406635
Name [?]:
3-[5-[(3-butoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
CCCCOc1cccc(c1)C=C2C(=O)N=C(S2)Nc3cccc(c3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0009
Area:633.568
Solvation:-3.83831
Coulombic:-65.0602
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:396.461
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.23
LogP (Chemaxon):4.67

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