[2-(4-bromobenzoyl)oxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate

Formula:C24H13NO5Br2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-bromobenzoyl)oxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[2-(4-bromobenzoyl)oxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate
MolecularFormula	C24H13NO5Br2S2
Smiles	O=C(c(cc1)ccc1Br)Oc(ccc(/C=C(/C(N1)=O)\SC1=S)c1)c1OC(c(cc1)ccc1Br)=O
InChI	InChI=1S/C24H13Br2NO5S2/c25-16-6-2-14(3-7-16)22(29)31-18-10-1-13(12-20-21(28)27-24(33)34-20)11-19(18)32-23(30)15-4-8-17(26)9-5-15/h1-12H,(H,27,28,33)
InChIK	LQGXYXOXHNLXPU-UHFFFAOYSA-N
TotalMolweight	619.309
Molweight	619.309
MonoisotopicMass	616.860186
CLogP	5.4556
CLogS	-8.108
H Acceptors	6
H Donors	1
TotalSurfaceArea	376.16
Relative PSA	0.30857
PolarSurfaceArea	139.09
Druglikeness	0.53782
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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1 - [2-(4-bromobenzoyl)oxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate | 2 - [2-(4-bromobenzoyl)oxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-bromobenzoate

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