3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-chlorophenyl)propanamide

Formula:C20H15N2O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-chlorophenyl)propanamide is a drug-like molecule.

MolName	3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-chlorophenyl)propanamide
MolecularFormula	C20H15N2O4ClS2
Smiles	O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)Nc(cccc1)c1Cl
InChI	InChI=1S/C20H15ClN2O4S2/c21-13-3-1-2-4-14(13)22-18(24)7-8-23-19(25)17(29-20(23)28)10-12-5-6-15-16(9-12)27-11-26-15/h1-6,9-10H,7-8,11H2,(H,22,24)
InChIK	PLRPMSASYKDRMR-UHFFFAOYSA-N
TotalMolweight	446.934
Molweight	446.934
MonoisotopicMass	446.016175
CLogP	3.3613
CLogS	-6.129
H Acceptors	6
H Donors	1
TotalSurfaceArea	314.89
Relative PSA	0.33847
PolarSurfaceArea	125.26
Druglikeness	4.8993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	2
StereoCon

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1 - 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-chlorophenyl)propanamide | 2 - 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-chlorophenyl)propanamide

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