2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C28H20N3O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is not a drug-like molecule.

MolName	2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C28H20N3O4ClS2
Smiles	OC(CN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2Cl)=O)C1=S)=O
InChI	InChI=1S/C28H20ClN3O4S2/c29-21-10-6-18(7-11-21)17-36-23-12-8-19(9-13-23)26-20(15-32(30-26)22-4-2-1-3-5-22)14-24-27(35)31(16-25(33)34)28(37)38-24/h1-15H,16-17H2,(H,33,34)
InChIK	KAWMIWRENQBHSL-UHFFFAOYSA-N
TotalMolweight	562.069
Molweight	562.069
MonoisotopicMass	561.058374
CLogP	3.4002
CLogS	-6.503
H Acceptors	7
H Donors	1
TotalSurfaceArea	407
Relative PSA	0.28516
PolarSurfaceArea	142.05
Druglikeness	0.050319
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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