3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide

Formula:C19H15N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide is a drug-like molecule.

MolName	3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide
MolecularFormula	C19H15N3O4S2
Smiles	[O-][N+](c(cccc1)c1NC(CCN(C(/C(/S1)=C\c2ccccc2)=O)C1=S)=O)=O
InChI	InChI=1S/C19H15N3O4S2/c23-17(20-14-8-4-5-9-15(14)22(25)26)10-11-21-18(24)16(28-19(21)27)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)
InChIK	AGRYNFABVLDUTO-UHFFFAOYSA-N
TotalMolweight	413.477
Molweight	413.477
MonoisotopicMass	413.050397
CLogP	1.7223
CLogS	-5.142
H Acceptors	7
H Donors	1
TotalSurfaceArea	302.88
Relative PSA	0.38629
PolarSurfaceArea	152.62
Druglikeness	-0.15077
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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