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

Formula:C28H22N4O2S3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
MolecularFormula	C28H22N4O2S3
Smiles	O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C28H22N4O2S3/c33-26(30-29-17-20-8-6-14-24(16-20)34-23-12-2-1-3-13-23)19-36-28-32-31-27(37-28)35-18-22-11-7-10-21-9-4-5-15-25(21)22/h1-17H,18-19H2,(H,30,33)
InChIK	SOMYGTYPDBWGQV-UHFFFAOYSA-N
TotalMolweight	542.707
Molweight	542.707
MonoisotopicMass	542.090486
CLogP	7.003
CLogS	-10.243
H Acceptors	6
H Donors	1
TotalSurfaceArea	407.07
Relative PSA	0.30287
PolarSurfaceArea	155.31
Druglikeness	5.0282
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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

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