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

Formula:C22H16N6OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C22H16N6OCl2S
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1Cl
InChI	InChI=1S/C22H16Cl2N6OS/c23-17-3-1-15(2-4-17)13-26-27-20(31)14-32-22-29-28-21(16-9-11-25-12-10-16)30(22)19-7-5-18(24)6-8-19/h1-13H,14H2,(H,27,31)
InChIK	YTQYWLFBWWMXBQ-UHFFFAOYSA-N
TotalMolweight	483.382
Molweight	483.382
MonoisotopicMass	482.048333
CLogP	4.7429
CLogS	-9.093
H Acceptors	7
H Donors	1
TotalSurfaceArea	354.08
Relative PSA	0.26344
PolarSurfaceArea	110.36
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	4
StereoCon

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

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