N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Formula:C26H19N4OClS3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormula	C26H19N4OClS3
Smiles	O=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C26H19ClN4OS3/c27-23-12-6-3-9-19(23)15-33-25-30-31-26(35-25)34-16-24(32)29-28-14-22-20-10-4-1-7-17(20)13-18-8-2-5-11-21(18)22/h1-14H,15-16H2,(H,29,32)
InChIK	XKHDUGLHYPRLPE-UHFFFAOYSA-N
TotalMolweight	535.115
Molweight	535.115
MonoisotopicMass	534.040948
CLogP	7.4078
CLogS	-10.288
H Acceptors	5
H Donors	1
TotalSurfaceArea	387.33
Relative PSA	0.29249
PolarSurfaceArea	146.08
Druglikeness	5.15
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

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