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

Formula:C20H18N4O5S3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(carbamoylsulfamoyl)phenyl]propanamide is a drug-like molecule.

MolName	3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(carbamoylsulfamoyl)phenyl]propanamide
MolecularFormula	C20H18N4O5S3
Smiles	NC(NS(c(cc1)ccc1NC(CCN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)=O)(=O)=O)=O
InChI	InChI=1S/C20H18N4O5S3/c21-19(27)23-32(28,29)15-8-6-14(7-9-15)22-17(25)10-11-24-18(26)16(31-20(24)30)12-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,25)(H3,21,23,27)
InChIK	LBJMKDCOEDDRPG-UHFFFAOYSA-N
TotalMolweight	490.584
Molweight	490.584
MonoisotopicMass	490.043931
CLogP	1.2035
CLogS	-4.78
H Acceptors	9
H Donors	3
TotalSurfaceArea	345.52
Relative PSA	0.4484
PolarSurfaceArea	204.44
Druglikeness	7.9636
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
Amides	4
StereoCon

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

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