ethyl 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoate

Formula:C16H17NO3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoate is a drug-like molecule.

MolName	ethyl 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoate
MolecularFormula	C16H17NO3S2
Smiles	CCOC(CCCN(C(C(S1)=Cc2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C16H17NO3S2/c1-2-20-14(18)9-6-10-17-15(19)13(22-16(17)21)11-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIK	HEJUAYRNNNXEMF-UHFFFAOYSA-N
TotalMolweight	335.447
Molweight	335.447
MonoisotopicMass	335.064984
CLogP	2.2701
CLogS	-3.881
H Acceptors	4
TotalSurfaceArea	257.77
Relative PSA	0.33022
PolarSurfaceArea	104
Druglikeness	-9.9691
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon

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