4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Formula:C23H17N7S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C23H17N7S
Smiles	S=C(NN=C1c2ccncc2)N1/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C23H17N7S/c31-23-27-26-22(18-11-13-24-14-12-18)30(23)25-15-19-16-29(20-9-5-2-6-10-20)28-21(19)17-7-3-1-4-8-17/h1-16H,(H,27,31)
InChIK	PJEYCFBTOJBEBV-UHFFFAOYSA-N
TotalMolweight	423.503
Molweight	423.503
MonoisotopicMass	423.126613
CLogP	3.2131
CLogS	-5.169
H Acceptors	7
H Donors	1
TotalSurfaceArea	327.96
Relative PSA	0.28918
PolarSurfaceArea	102.79
Druglikeness	4.1245
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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