4-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate

Formula:C23H17N4O3S3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 4-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C23H17N4O3S3
Smiles	[O-]C(c1ccc(/C=N\NC(CSc2nnc(SCc3cccc4ccccc34)s2)=O)cc1)=O
InChI	InChI=1S/C23H18N4O3S3/c28-20(25-24-12-15-8-10-17(11-9-15)21(29)30)14-32-23-27-26-22(33-23)31-13-18-6-3-5-16-4-1-2-7-19(16)18/h1-12H,13-14H2,(H,25,28)(H,29,30)/p-1
InChIK	ZEBCFVKKQHQNQU-UHFFFAOYSA-M
TotalMolweight	493.611
Molweight	493.611
MonoisotopicMass	493.046276
CLogP	3.0165
CLogS	-7.959
H Acceptors	7
H Donors	1
TotalSurfaceArea	362.59
Relative PSA	0.38779
PolarSurfaceArea	186.21
Druglikeness	5.1443
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	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 4-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate

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