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

Formula:C29H22N8OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
MolecularFormula	C29H22N8OS2
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C29H22N8OS2/c38-26(20-40-29-34-33-28(21-13-15-30-16-14-21)37(29)24-10-5-2-6-11-24)32-31-18-22-19-36(23-8-3-1-4-9-23)35-27(22)25-12-7-17-39-25/h1-19H,20H2,(H,32,38)
InChIK	ZOAYHDIDBJSHOG-UHFFFAOYSA-N
TotalMolweight	562.681
Molweight	562.681
MonoisotopicMass	562.135797
CLogP	4.4734
CLogS	-9.055
H Acceptors	9
H Donors	1
TotalSurfaceArea	426.66
Relative PSA	0.30816
PolarSurfaceArea	156.42
Druglikeness	7.6416
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	33
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	6
StereoCon

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

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