N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Formula:C20H15N4OBrS4 Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormula	C20H15N4OBrS4
Smiles	O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c(s1)ccc1Br
InChI	InChI=1S/C20H15BrN4OS4/c21-17-9-8-15(29-17)10-22-23-18(26)12-28-20-25-24-19(30-20)27-11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10H,11-12H2,(H,23,26)
InChIK	BWJFHXXQKIGMBU-UHFFFAOYSA-N
TotalMolweight	535.534
Molweight	535.534
MonoisotopicMass	533.931202
CLogP	6.4039
CLogS	-8.807
H Acceptors	5
H Donors	1
TotalSurfaceArea	351.88
Relative PSA	0.37982
PolarSurfaceArea	174.32
Druglikeness	2.7168
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

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