2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C21H14N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C21H14N3O5ClS2
Smiles	OC(CN(C(/C(/S1)=C(\c(cccc2)c2N2CC(Nc3cccc(Cl)c3)=O)/C2=O)=O)C1=S)=O
InChI	InChI=1S/C21H14ClN3O5S2/c22-11-4-3-5-12(8-11)23-15(26)9-24-14-7-2-1-6-13(14)17(19(24)29)18-20(30)25(10-16(27)28)21(31)32-18/h1-8H,9-10H2,(H,23,26)(H,27,28)
InChIK	WYRWIZUSWGLKCX-UHFFFAOYSA-N
TotalMolweight	487.943
Molweight	487.943
MonoisotopicMass	487.006339
CLogP	0.6829
CLogS	-4.516
H Acceptors	8
H Donors	2
TotalSurfaceArea	331.49
Relative PSA	0.39009
PolarSurfaceArea	164.41
Druglikeness	-0.32374
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Request More Details | 2-[(5Z)-5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments