2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C24H20N4OS3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C24H20N4OS3
Smiles	O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C24H20N4OS3/c29-22(26-25-15-7-10-18-8-2-1-3-9-18)17-31-24-28-27-23(32-24)30-16-20-13-6-12-19-11-4-5-14-21(19)20/h1-15H,16-17H2,(H,26,29)
InChIK	JBKPNERPFCXSOY-UHFFFAOYSA-N
TotalMolweight	476.648
Molweight	476.648
MonoisotopicMass	476.079921
CLogP	5.6257
CLogS	-8.238
H Acceptors	5
H Donors	1
TotalSurfaceArea	363.81
Relative PSA	0.3114
PolarSurfaceArea	146.08
Druglikeness	5.1553
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
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-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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