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

Formula:C24H17N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C24H17N3O4S2
Smiles	OC(CCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)=O)C1=S)=O
InChI	InChI=1S/C24H17N3O4S2/c28-21(29)10-11-26-23(30)20(33-24(26)32)13-16-14-27(17-7-2-1-3-8-17)25-22(16)19-12-15-6-4-5-9-18(15)31-19/h1-9,12-14H,10-11H2,(H,28,29)
InChIK	YLTQOPXOCJXHTK-UHFFFAOYSA-N
TotalMolweight	475.548
Molweight	475.548
MonoisotopicMass	475.066047
CLogP	2.4431
CLogS	-5.547
H Acceptors	7
H Donors	1
TotalSurfaceArea	346.11
Relative PSA	0.3472
PolarSurfaceArea	145.96
Druglikeness	5.9849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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

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