4-bromo-N'-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

Formula:C21H20N3O3BrS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N'-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide is not a drug-like molecule.

MolName	4-bromo-N'-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
MolecularFormula	C21H20N3O3BrS3
Smiles	O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)NNC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C21H20BrN3O3S3/c22-15-9-7-14(8-10-15)19(27)24-23-18(26)6-2-1-3-11-25-20(28)17(31-21(25)29)13-16-5-4-12-30-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,23,26)(H,24,27)
InChIK	XSFAWGQXWMKKQO-UHFFFAOYSA-N
TotalMolweight	538.51
Molweight	538.51
MonoisotopicMass	536.985013
CLogP	3.4094
CLogS	-6.518
H Acceptors	6
H Donors	2
TotalSurfaceArea	364.27
Relative PSA	0.36083
PolarSurfaceArea	164.14
Druglikeness	-4.2211
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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1 - 4-bromo-N'-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide | 2 - 4-bromo-N'-[6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

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