(4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione

Formula:C24H14N2O3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
MolecularFormula	C24H14N2O3BrClS
Smiles	O/C(/c1ccccc1)=C(\C(c(cc1)ccc1Cl)N(C1=O)c2nc(ccc(Br)c3)c3s2)/C1=O
InChI	InChI=1S/C24H14BrClN2O3S/c25-15-8-11-17-18(12-15)32-24(27-17)28-20(13-6-9-16(26)10-7-13)19(22(30)23(28)31)21(29)14-4-2-1-3-5-14/h1-12,20,29H/t20-/m1/s1
InChIK	VFOLQLCHSYQTJW-HXUWFJFHSA-N
TotalMolweight	525.809
Molweight	525.809
MonoisotopicMass	523.959701
CLogP	5.5679
CLogS	-6.53
H Acceptors	5
H Donors	1
TotalSurfaceArea	330.2
Relative PSA	0.22429
PolarSurfaceArea	98.74
Druglikeness	-1.8999
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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1 - (4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(6-bromo-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione

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