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

Formula:C16H12N4OBrClS4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormula	C16H12N4OBrClS4
Smiles	O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c(s1)ccc1Br
InChI	InChI=1S/C16H12BrClN4OS4/c17-13-6-5-12(26-13)7-19-20-14(23)9-25-16-22-21-15(27-16)24-8-10-1-3-11(18)4-2-10/h1-7H,8-9H2,(H,20,23)
InChIK	DOGHBKCLOWGKAQ-UHFFFAOYSA-N
TotalMolweight	519.919
Molweight	519.919
MonoisotopicMass	517.876579
CLogP	5.8155
CLogS	-7.937
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.7
Relative PSA	0.40171
PolarSurfaceArea	174.32
Druglikeness	2.7431
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.74074
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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

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