4-(4-bromophenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

Formula:C22H16N3OBrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-(4-bromophenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	4-(4-bromophenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
MolecularFormula	C22H16N3OBrS
Smiles	Brc(cc1)ccc1-c1csc(N/N=C/c2cc(Oc3ccccc3)ccc2)n1
InChI	InChI=1S/C22H16BrN3OS/c23-18-11-9-17(10-12-18)21-15-28-22(25-21)26-24-14-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-15H,(H,25,26)
InChIK	YSVJVQXSWHJHNC-UHFFFAOYSA-N
TotalMolweight	450.359
Molweight	450.359
MonoisotopicMass	449.019743
CLogP	8.3372
CLogS	-7.791
H Acceptors	4
H Donors	1
TotalSurfaceArea	312.09
Relative PSA	0.20603
PolarSurfaceArea	74.75
Druglikeness	1.9975
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.67857
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	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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