4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)butanehydrazide

Formula:C20H16N5O6ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)butanehydrazide is not a drug-like molecule.

MolName	4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)butanehydrazide
MolecularFormula	C20H16N5O6ClS2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1NNC(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O)=O
InChI	InChI=1S/C20H16ClN5O6S2/c21-14-5-2-1-4-12(14)10-17-19(28)24(20(33)34-17)9-3-6-18(27)23-22-15-8-7-13(25(29)30)11-16(15)26(31)32/h1-2,4-5,7-8,10-11,22H,3,6,9H2,(H,23,27)
InChIK	CFRKPGMFLMPZKI-UHFFFAOYSA-N
TotalMolweight	521.961
Molweight	521.961
MonoisotopicMass	521.023052
CLogP	2.3109
CLogS	-6.218
H Acceptors	11
H Donors	2
TotalSurfaceArea	367.19
Relative PSA	0.43269
PolarSurfaceArea	210.47
Druglikeness	-0.53678
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)butanehydrazide | 2 - 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)butanehydrazide

Request More Details | 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)butanehydrazide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments