[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(2,4-dichloroanilino)-2-oxo-2-phenylethanimidothioate

Formula:C22H13N4O2BrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(2,4-dichloroanilino)-2-oxo-2-phenylethanimidothioate is not a drug-like molecule.

MolName	[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(2,4-dichloroanilino)-2-oxo-2-phenylethanimidothioate
MolecularFormula	C22H13N4O2BrCl2S
Smiles	O=C(/C(/Sc1nnc(-c2cccc(Br)c2)o1)=N\Nc(ccc(Cl)c1)c1Cl)c1ccccc1
InChI	InChI=1S/C22H13BrCl2N4O2S/c23-15-8-4-7-14(11-15)20-27-29-22(31-20)32-21(19(30)13-5-2-1-3-6-13)28-26-18-10-9-16(24)12-17(18)25/h1-12,26H
InChIK	YMYZVDYUENGSSB-UHFFFAOYSA-N
TotalMolweight	548.247
Molweight	548.247
MonoisotopicMass	545.931961
CLogP	7.3161
CLogS	-8.175
H Acceptors	6
H Donors	1
TotalSurfaceArea	358.89
Relative PSA	0.24952
PolarSurfaceArea	105.68
Druglikeness	1.3162
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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