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

Formula:C29H24N4O2S3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormula	C29H24N4O2S3
Smiles	O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\c1cc(OCc2ccccc2)ccc1
InChI	InChI=1S/C29H24N4O2S3/c34-27(31-30-17-22-10-6-14-25(16-22)35-18-21-8-2-1-3-9-21)20-37-29-33-32-28(38-29)36-19-24-13-7-12-23-11-4-5-15-26(23)24/h1-17H,18-20H2,(H,31,34)
InChIK	KZCAFBAKFZDXRY-UHFFFAOYSA-N
TotalMolweight	556.734
Molweight	556.734
MonoisotopicMass	556.106136
CLogP	6.9555
CLogS	-9.287
H Acceptors	6
H Donors	1
TotalSurfaceArea	420.83
Relative PSA	0.29297
PolarSurfaceArea	155.31
Druglikeness	4.7826
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65789
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	6
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-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

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