2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide

Formula:C25H19N7OS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
MolecularFormula	C25H19N7OS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\c1cccc2cccnc12
InChI	InChI=1S/C25H19N7OS/c33-22(29-28-16-20-7-4-6-18-8-5-13-27-23(18)20)17-34-25-31-30-24(19-11-14-26-15-12-19)32(25)21-9-2-1-3-10-21/h1-16H,17H2,(H,29,33)
InChIK	DSPXQWDHWVOVNT-UHFFFAOYSA-N
TotalMolweight	465.54
Molweight	465.54
MonoisotopicMass	465.137178
CLogP	3.8469
CLogS	-8.327
H Acceptors	8
H Donors	1
TotalSurfaceArea	356.6
Relative PSA	0.29234
PolarSurfaceArea	123.25
Druglikeness	5.4255
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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1 - 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide | 2 - 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide

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