6-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C32H28N3O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.

MolName	6-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormula	C32H28N3O4ClS2
Smiles	OC(CCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C32H28ClN3O4S2/c33-27-12-7-6-9-23(27)21-40-26-16-14-22(15-17-26)30-24(20-36(34-30)25-10-3-1-4-11-25)19-28-31(39)35(32(41)42-28)18-8-2-5-13-29(37)38/h1,3-4,6-7,9-12,14-17,19-20H,2,5,8,13,18,21H2,(H,37,38)
InChIK	NDTXIGNWCBMONH-UHFFFAOYSA-N
TotalMolweight	618.176
Molweight	618.176
MonoisotopicMass	617.120974
CLogP	5.2178
CLogS	-7.583
H Acceptors	7
H Donors	1
TotalSurfaceArea	462.04
Relative PSA	0.25119
PolarSurfaceArea	142.05
Druglikeness	-3.6957
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54762
Fragments	1
Non HAtoms	42
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	12
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	10
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 6-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Request More Details | 6-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments