3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

Formula:C22H18N4O4S4 Mutagenic:none Tumorigenic:low Reproductive Effective:low 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is not a drug-like molecule.

MolName	3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
MolecularFormula	C22H18N4O4S4
Smiles	O=C(CCN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O
InChI	InChI=1S/C22H18N4O4S4/c27-19(10-12-26-20(28)18(33-22(26)31)14-15-4-2-1-3-5-15)24-16-6-8-17(9-7-16)34(29,30)25-21-23-11-13-32-21/h1-9,11,13-14H,10,12H2,(H,23,25)(H,24,27)
InChIK	YEJDQJWZPSNLOU-UHFFFAOYSA-N
TotalMolweight	530.673
Molweight	530.673
MonoisotopicMass	530.021086
CLogP	2.5683
CLogS	-5.748
H Acceptors	8
H Donors	2
TotalSurfaceArea	373.71
Relative PSA	0.42265
PolarSurfaceArea	202.48
Druglikeness	7.498
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	5
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide | 2 - 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

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