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

Formula:C20H15N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[3-(furan-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-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C20H15N3O4S2
Smiles	OC(CCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccco2)=O)C1=S)=O
InChI	InChI=1S/C20H15N3O4S2/c24-17(25)8-9-22-19(26)16(29-20(22)28)11-13-12-23(14-5-2-1-3-6-14)21-18(13)15-7-4-10-27-15/h1-7,10-12H,8-9H2,(H,24,25)
InChIK	GPGHEYCNPPFKFN-UHFFFAOYSA-N
TotalMolweight	425.488
Molweight	425.488
MonoisotopicMass	425.050397
CLogP	1.1262
CLogS	-4.046
H Acceptors	7
H Donors	1
TotalSurfaceArea	311.51
Relative PSA	0.38577
PolarSurfaceArea	145.96
Druglikeness	5.8494
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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