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

Formula:C17H13N2OBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-benzylidene-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-benzylidene-3-[(2-bromoanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C17H13N2OBrS2
Smiles	O=C(/C(/S1)=C\c2ccccc2)N(CNc(cccc2)c2Br)C1=S
InChI	InChI=1S/C17H13BrN2OS2/c18-13-8-4-5-9-14(13)19-11-20-16(21)15(23-17(20)22)10-12-6-2-1-3-7-12/h1-10,19H,11H2
InChIK	BLRNNISMEFBWDK-UHFFFAOYSA-N
TotalMolweight	405.339
Molweight	405.339
MonoisotopicMass	403.965264
CLogP	3.2837
CLogS	-5.793
H Acceptors	3
H Donors	1
TotalSurfaceArea	266.33
Relative PSA	0.27612
PolarSurfaceArea	89.73
Druglikeness	1.5377
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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