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

Formula:C30H21N6OClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C30H21N6OClS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C30H21ClN6OS/c31-23-9-11-24(12-10-23)37-29(20-13-15-32-16-14-20)35-36-30(37)39-19-28(38)34-33-18-27-25-7-3-1-5-21(25)17-22-6-2-4-8-26(22)27/h1-18H,19H2,(H,34,38)
InChIK	CZZCEULXBZOBDY-UHFFFAOYSA-N
TotalMolweight	549.057
Molweight	549.057
MonoisotopicMass	548.118606
CLogP	6.5257
CLogS	-11.569
H Acceptors	7
H Donors	1
TotalSurfaceArea	407.86
Relative PSA	0.22871
PolarSurfaceArea	110.36
Druglikeness	5.4489
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	2
Symmetricatoms	10
Aromatic Nitrogens	4
StereoCon

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

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