(5E)-3-[(2-bromoanilino)methyl]-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H12N2O2Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[(2-bromoanilino)methyl]-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-[(2-bromoanilino)methyl]-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H12N2O2Br2S
Smiles	O=C(/C(/S1)=C\c2cc(Br)ccc2)N(CNc(cccc2)c2Br)C1=O
InChI	InChI=1S/C17H12Br2N2O2S/c18-12-5-3-4-11(8-12)9-15-16(22)21(17(23)24-15)10-20-14-7-2-1-6-13(14)19/h1-9,20H,10H2
InChIK	KEXBVOKKDVXKFU-UHFFFAOYSA-N
TotalMolweight	468.168
Molweight	468.168
MonoisotopicMass	465.89862
CLogP	4.3541
CLogS	-6.276
H Acceptors	4
H Donors	1
TotalSurfaceArea	270
Relative PSA	0.21696
PolarSurfaceArea	74.71
Druglikeness	1.9971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
StereoCon

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