Chemical ID: 4324475

c1ccc(cc1)CC(C(=O)O)N2C(=O)C(=C3c4ccccc4N(C3=O)CC(=O)O)SC2=S
Chemical ID:
4324475
Name [?]:
2-[5-[1-(carboxymethyl)-2-oxo-indolin-3-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic acid
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)N2C(=O)C(=C3c4ccccc4N(C3=O)CC(=O)O)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16N2O6S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.2705
Area:634.214
Solvation:-4.58489
Coulombic:-89.309
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:468.504
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.57
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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