N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Formula:C16H10N4O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide is a drug-like molecule.

MolName	N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
MolecularFormula	C16H10N4O4S2
Smiles	[O-][N+](c1cccc(/C=C(/C(N2NC(c3ccncc3)=O)=O)\SC2=S)c1)=O
InChI	InChI=1S/C16H10N4O4S2/c21-14(11-4-6-17-7-5-11)18-19-15(22)13(26-16(19)25)9-10-2-1-3-12(8-10)20(23)24/h1-9H,(H,18,21)
InChIK	VHHRSPRKZQNZGR-UHFFFAOYSA-N
TotalMolweight	386.411
Molweight	386.411
MonoisotopicMass	386.014346
CLogP	-0.4513
CLogS	-4.349
H Acceptors	8
H Donors	1
TotalSurfaceArea	274.12
Relative PSA	0.46684
PolarSurfaceArea	165.51
Druglikeness	-1.118
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide | 2 - N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Request More Details | N-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments