N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine

Formula:C22H16N3BrS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(4-bromophenyl)methylideneamino]-4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-amine
MolecularFormula	C22H16N3BrS2
Smiles	Brc1ccc(/C=N\Nc2nc(-c(cc3)ccc3Sc3ccccc3)cs2)cc1
InChI	InChI=1S/C22H16BrN3S2/c23-18-10-6-16(7-11-18)14-24-26-22-25-21(15-27-22)17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-15H,(H,25,26)
InChIK	KCEFSQAFVMHJCP-UHFFFAOYSA-N
TotalMolweight	466.426
Molweight	466.426
MonoisotopicMass	464.996898
CLogP	8.7627
CLogS	-7.28
H Acceptors	3
H Donors	1
TotalSurfaceArea	319.58
Relative PSA	0.22464
PolarSurfaceArea	90.82
Druglikeness	2.2081
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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