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

Formula:C36H28N6OS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(naphthalen-1-ylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[5-[(naphthalen-1-ylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C36H28N6OS
Smiles	O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C36H28N6OS/c43-35(40-38-22-32-29-17-7-5-12-26(29)21-27-13-6-8-18-30(27)32)24-44-36-41-39-34(42(36)28-15-2-1-3-16-28)23-37-33-20-10-14-25-11-4-9-19-31(25)33/h1-22,37H,23-24H2,(H,40,43)
InChIK	CSZAVTMVRCMFLD-UHFFFAOYSA-N
TotalMolweight	592.725
Molweight	592.725
MonoisotopicMass	592.204529
CLogP	7.4266
CLogS	-11.756
H Acceptors	7
H Donors	2
TotalSurfaceArea	453.5
Relative PSA	0.20677
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	0.47727
Fragments	1
Non HAtoms	44
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	7
Small Rings	7
Aromatic Rings	7
Aromatic Atoms	35
Sp3Atoms	3
Symmetricatoms	8
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon

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

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