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

Formula:C22H18N4OS3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C22H18N4OS3
Smiles	O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C22H18N4OS3/c27-20(24-23-13-18-11-6-10-17-9-4-5-12-19(17)18)15-29-22-26-25-21(30-22)28-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,27)
InChIK	YLEMRNZDZYPKOX-UHFFFAOYSA-N
TotalMolweight	450.61
Molweight	450.61
MonoisotopicMass	450.064271
CLogP	5.6074
CLogS	-7.946
H Acceptors	5
H Donors	1
TotalSurfaceArea	337.31
Relative PSA	0.33586
PolarSurfaceArea	146.08
Druglikeness	5.1323
Mutagenic	none
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	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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

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