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

Formula:C22H17N4OClS3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C22H17N4OClS3
Smiles	O=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C22H17ClN4OS3/c23-19-11-4-2-7-17(19)13-29-21-26-27-22(31-21)30-14-20(28)25-24-12-16-9-5-8-15-6-1-3-10-18(15)16/h1-12H,13-14H2,(H,25,28)
InChIK	SLUIMCUZXBQQKM-UHFFFAOYSA-N
TotalMolweight	485.055
Molweight	485.055
MonoisotopicMass	484.025298
CLogP	6.2134
CLogS	-8.682
H Acceptors	5
H Donors	1
TotalSurfaceArea	352.73
Relative PSA	0.32118
PolarSurfaceArea	146.08
Druglikeness	5.15
Mutagenic	none
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 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

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