butyl 4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Formula:C19H23NO3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none butyl 4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate is a drug-like molecule.

MolName	butyl 4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
MolecularFormula	C19H23NO3S2
Smiles	CCCCOC(CCCN(C(/C(/S1)=C\c2ccc(C)cc2)=O)C1=S)=O
InChI	InChI=1S/C19H23NO3S2/c1-3-4-12-23-17(21)6-5-11-20-18(22)16(25-19(20)24)13-15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIK	HBUHGDOJHLNLBB-UHFFFAOYSA-N
TotalMolweight	377.528
Molweight	377.528
MonoisotopicMass	377.111934
CLogP	3.5228
CLogS	-4.765
H Acceptors	4
TotalSurfaceArea	297.55
Relative PSA	0.28607
PolarSurfaceArea	104
Druglikeness	-3.8887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
Amides	1
StereoCon

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