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

Formula:C31H24N8OS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C31H24N8OS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C31H24N8OS/c40-28(22-41-31-36-35-30(24-16-18-32-19-17-24)39(31)27-14-8-3-9-15-27)34-33-20-25-21-38(26-12-6-2-7-13-26)37-29(25)23-10-4-1-5-11-23/h1-21H,22H2,(H,34,40)
InChIK	DDISZPFVNPVLJI-UHFFFAOYSA-N
TotalMolweight	556.653
Molweight	556.653
MonoisotopicMass	556.179377
CLogP	4.4499
CLogS	-9.134
H Acceptors	9
H Donors	1
TotalSurfaceArea	430.72
Relative PSA	0.25799
PolarSurfaceArea	128.18
Druglikeness	6.5417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.4878
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	6
StereoCon

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

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