4-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Formula:C25H19N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is a drug-like molecule.

MolName	4-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
MolecularFormula	C25H19N3O4S2
Smiles	OC(CCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)=O)C1=S)=O
InChI	InChI=1S/C25H19N3O4S2/c29-22(30)11-6-12-27-24(31)21(34-25(27)33)14-17-15-28(18-8-2-1-3-9-18)26-23(17)20-13-16-7-4-5-10-19(16)32-20/h1-5,7-10,13-15H,6,11-12H2,(H,29,30)
InChIK	UNGZZKOCZAHYOK-UHFFFAOYSA-N
TotalMolweight	489.575
Molweight	489.575
MonoisotopicMass	489.081697
CLogP	2.8975
CLogS	-5.817
H Acceptors	7
H Donors	1
TotalSurfaceArea	359.87
Relative PSA	0.33393
PolarSurfaceArea	145.96
Druglikeness	5.0489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 4-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid | 2 - 4-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

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