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

Formula:C22H16N6OClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C22H16N6OClFS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1F
InChI	InChI=1S/C22H16ClFN6OS/c23-17-3-7-19(8-4-17)30-21(16-9-11-25-12-10-16)28-29-22(30)32-14-20(31)27-26-13-15-1-5-18(24)6-2-15/h1-13H,14H2,(H,27,31)
InChIK	KRTBCWLTCCUXLL-UHFFFAOYSA-N
TotalMolweight	466.927
Molweight	466.927
MonoisotopicMass	466.077884
CLogP	4.2377
CLogS	-8.671
H Acceptors	7
H Donors	1
TotalSurfaceArea	345.01
Relative PSA	0.27037
PolarSurfaceArea	110.36
Druglikeness	4.1089
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 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide

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