(2S)-2-[(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate

Formula:C21H15N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-2-[(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate is a drug-like molecule.

MolName	(2S)-2-[(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate
MolecularFormula	C21H15N2O5S2
Smiles	[O-]C([C@H](Cc1ccccc1)N(C(/C(/S1)=C/C=C/c(cc2)ccc2[N+]([O-])=O)=O)C1=S)=O
InChI	InChI=1S/C21H16N2O5S2/c24-19-18(8-4-7-14-9-11-16(12-10-14)23(27)28)30-21(29)22(19)17(20(25)26)13-15-5-2-1-3-6-15/h1-12,17H,13H2,(H,25,26)/p-1/t17-/m0/s1
InChIK	LAVLUVFDSPKJCP-KRWDZBQOSA-M
TotalMolweight	439.491
Molweight	439.491
MonoisotopicMass	439.042238
CLogP	-0.0127
CLogS	-5.198
H Acceptors	7
TotalSurfaceArea	324.19
Relative PSA	0.3696
PolarSurfaceArea	163.65
Druglikeness	-0.41997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - (2S)-2-[(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate | 2 - (2S)-2-[(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate

Request More Details | (2S)-2-[(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments