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

Formula:C22H17N6O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)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)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormula	C22H17N6O2ClS
Smiles	Oc1cccc(/C=N\NC(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2Cl)=O)c1
InChI	InChI=1S/C22H17ClN6O2S/c23-17-4-6-18(7-5-17)29-21(16-8-10-24-11-9-16)27-28-22(29)32-14-20(31)26-25-13-15-2-1-3-19(30)12-15/h1-13,30H,14H2,(H,26,31)
InChIK	USYZMPJXSFSAKD-UHFFFAOYSA-N
TotalMolweight	464.936
Molweight	464.936
MonoisotopicMass	464.082221
CLogP	3.7912
CLogS	-8.061
H Acceptors	8
H Donors	2
TotalSurfaceArea	345.01
Relative PSA	0.30834
PolarSurfaceArea	130.59
Druglikeness	5.4326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
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	3
Symmetricatoms	4
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)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide

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