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

Formula:C20H14N6S3 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C20H14N6S3
Smiles	S=C(NN=C1c2cccs2)N1/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C20H14N6S3/c27-20-23-22-19(17-9-5-11-29-17)26(20)21-12-14-13-25(15-6-2-1-3-7-15)24-18(14)16-8-4-10-28-16/h1-13H,(H,23,27)
InChIK	RQEAZYGFPYYARZ-UHFFFAOYSA-N
TotalMolweight	434.571
Molweight	434.571
MonoisotopicMass	434.044204
CLogP	4.1041
CLogS	-5.895
H Acceptors	6
H Donors	1
TotalSurfaceArea	321.08
Relative PSA	0.38803
PolarSurfaceArea	146.38
Druglikeness	5.6652
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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