(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C18H13N2O3BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C18H13N2O3BrS2
Smiles	O=C(/C(/S1)=C\c(cc2)cc3c2OCO3)N(CNc(cccc2)c2Br)C1=S
InChI	InChI=1S/C18H13BrN2O3S2/c19-12-3-1-2-4-13(12)20-9-21-17(22)16(26-18(21)25)8-11-5-6-14-15(7-11)24-10-23-14/h1-8,20H,9-10H2
InChIK	SFIIMFQJSRSGGI-UHFFFAOYSA-N
TotalMolweight	449.348
Molweight	449.348
MonoisotopicMass	447.955094
CLogP	3.3951
CLogS	-6.504
H Acceptors	5
H Donors	1
TotalSurfaceArea	286.59
Relative PSA	0.32639
PolarSurfaceArea	108.19
Druglikeness	1.496
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	methanediamine
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
StereoCon

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1 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

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