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

Formula:C22H17N5O3S3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C22H17N5O3S3
Smiles	[O-][N+](c1c(/C=N\NC(CSc2nnc(SCc3cccc4ccccc34)s2)=O)cccc1)=O
InChI	InChI=1S/C22H17N5O3S3/c28-20(24-23-12-16-7-2-4-11-19(16)27(29)30)14-32-22-26-25-21(33-22)31-13-17-9-5-8-15-6-1-3-10-18(15)17/h1-12H,13-14H2,(H,24,28)
InChIK	UOCCWEMQZMTNCM-UHFFFAOYSA-N
TotalMolweight	495.607
Molweight	495.607
MonoisotopicMass	495.04935
CLogP	4.6858
CLogS	-8.406
H Acceptors	8
H Donors	1
TotalSurfaceArea	360.98
Relative PSA	0.39811
PolarSurfaceArea	191.9
Druglikeness	-0.016489
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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