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

Formula:C22H16N6S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H16N6S2
Smiles	S=C(NN=C1c2cccs2)N1/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C22H16N6S2/c29-22-25-24-21(19-12-7-13-30-19)28(22)23-14-17-15-27(18-10-5-2-6-11-18)26-20(17)16-8-3-1-4-9-16/h1-15H,(H,25,29)
InChIK	XUABPJVSOFIUNS-UHFFFAOYSA-N
TotalMolweight	428.543
Molweight	428.543
MonoisotopicMass	428.087784
CLogP	4.0806
CLogS	-5.974
H Acceptors	6
H Donors	1
TotalSurfaceArea	325.14
Relative PSA	0.32057
PolarSurfaceArea	118.14
Druglikeness	5.6652
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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