3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide

Formula:C17H18N3O3BrS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide is a drug-like molecule.

MolName	3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-morpholin-4-ylpropanamide
MolecularFormula	C17H18N3O3BrS2
Smiles	O=C(CCN(C(/C(/S1)=C/c2cccc(Br)c2)=O)C1=S)NN1CCOCC1
InChI	InChI=1S/C17H18BrN3O3S2/c18-13-3-1-2-12(10-13)11-14-16(23)21(17(25)26-14)5-4-15(22)19-20-6-8-24-9-7-20/h1-3,10-11H,4-9H2,(H,19,22)
InChIK	HZABJFSCFXACRP-UHFFFAOYSA-N
TotalMolweight	456.384
Molweight	456.384
MonoisotopicMass	454.997293
CLogP	0.4695
CLogS	-3.808
H Acceptors	6
H Donors	1
TotalSurfaceArea	299.92
Relative PSA	0.33386
PolarSurfaceArea	119.27
Druglikeness	3.0796
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon

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