2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

Formula:C20H16N6OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormula	C20H16N6OS2
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\c1cccs1
InChI	InChI=1S/C20H16N6OS2/c27-18(23-22-13-17-7-4-12-28-17)14-29-20-25-24-19(15-8-10-21-11-9-15)26(20)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,27)
InChIK	IZUAEDQGSWUEEE-UHFFFAOYSA-N
TotalMolweight	420.52
Molweight	420.52
MonoisotopicMass	420.082699
CLogP	3.3975
CLogS	-7.631
H Acceptors	7
H Donors	1
TotalSurfaceArea	319.18
Relative PSA	0.35604
PolarSurfaceArea	138.6
Druglikeness	6.7029
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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

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