2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-anthracen-9-ylmethylideneamino]acetamide

Formula:C32H26N6OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-anthracen-9-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-anthracen-9-ylmethylideneamino]acetamide
MolecularFormula	C32H26N6OS
Smiles	O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C32H26N6OS/c39-31(36-34-20-29-27-17-9-7-11-23(27)19-24-12-8-10-18-28(24)29)22-40-32-37-35-30(21-33-25-13-3-1-4-14-25)38(32)26-15-5-2-6-16-26/h1-20,33H,21-22H2,(H,36,39)
InChIK	AOXPJYBPPLOFSG-UHFFFAOYSA-N
TotalMolweight	542.665
Molweight	542.665
MonoisotopicMass	542.188879
CLogP	6.2322
CLogS	-10.15
H Acceptors	7
H Donors	2
TotalSurfaceArea	418.9
Relative PSA	0.22385
PolarSurfaceArea	109.5
Druglikeness	5.8676
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	3
Symmetricatoms	10
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-anthracen-9-ylmethylideneamino]acetamide | 2 - 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-anthracen-9-ylmethylideneamino]acetamide

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