Chemical ID: 4844104

CN1C(=O)C(=Cc2ccc(cc2)OCC#C)SC1=Nc3ccc(cc3)C(=O)O
Chemical ID:
4844104
Name [?]:
4-[3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylene]thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)OCC#C)SC1=Nc3ccc(cc3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7846
Area:609.912
Solvation:-4.46322
Coulombic:-61.852
Bond Count [?]
All:30
Single:19
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:392.429
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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