3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

Formula:C19H14N3O5BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide is not a drug-like molecule.

MolName	3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
MolecularFormula	C19H14N3O5BrS2
Smiles	[O-][N+](c(cc1)cc(NC(CCN(C(/C(/S2)=C/c3cccc(Br)c3)=O)C2=S)=O)c1O)=O
InChI	InChI=1S/C19H14BrN3O5S2/c20-12-3-1-2-11(8-12)9-16-18(26)22(19(29)30-16)7-6-17(25)21-14-10-13(23(27)28)4-5-15(14)24/h1-5,8-10,24H,6-7H2,(H,21,25)
InChIK	QAKHQEFGXNJFIB-UHFFFAOYSA-N
TotalMolweight	508.372
Molweight	508.372
MonoisotopicMass	506.955823
CLogP	2.1018
CLogS	-5.68
H Acceptors	8
H Donors	2
TotalSurfaceArea	327.86
Relative PSA	0.39682
PolarSurfaceArea	172.85
Druglikeness	-1.9177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide | 2 - 3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

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