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

Formula:C28H22N4OS3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
MolecularFormula	C28H22N4OS3
Smiles	O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C28H22N4OS3/c33-26(30-29-17-20-13-15-22(16-14-20)21-7-2-1-3-8-21)19-35-28-32-31-27(36-28)34-18-24-11-6-10-23-9-4-5-12-25(23)24/h1-17H,18-19H2,(H,30,33)
InChIK	IQZJGUCGBLKHGY-UHFFFAOYSA-N
TotalMolweight	526.708
Molweight	526.708
MonoisotopicMass	526.095571
CLogP	7.2666
CLogS	-10.032
H Acceptors	5
H Donors	1
TotalSurfaceArea	397.07
Relative PSA	0.28531
PolarSurfaceArea	146.08
Druglikeness	5.1323
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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

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