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

Formula:C22H17N4OBrS3 Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-(2-bromophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(2-bromophenyl)methylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormula	C22H17N4OBrS3
Smiles	O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c(cccc1)c1Br
InChI	InChI=1S/C22H17BrN4OS3/c23-19-11-4-2-7-16(19)12-24-25-20(28)14-30-22-27-26-21(31-22)29-13-17-9-5-8-15-6-1-3-10-18(15)17/h1-12H,13-14H2,(H,25,28)
InChIK	MLVFHIMLFACPIO-UHFFFAOYSA-N
TotalMolweight	529.506
Molweight	529.506
MonoisotopicMass	527.974782
CLogP	6.3326
CLogS	-8.78
H Acceptors	5
H Donors	1
TotalSurfaceArea	355.94
Relative PSA	0.31828
PolarSurfaceArea	146.08
Druglikeness	3.3423
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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

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