(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H17N2O4BrS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H17N2O4BrS3
Smiles	O=C1N(Cc2ccccc2)c(ccc(Br)c2)c2/C1=C(\C(N1C(CC2)CS2(=O)=O)=O)/SC1=S
InChI	InChI=1S/C22H17BrN2O4S3/c23-14-6-7-17-16(10-14)18(20(26)24(17)11-13-4-2-1-3-5-13)19-21(27)25(22(30)31-19)15-8-9-32(28,29)12-15/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1
InChIK	QIYVEBQVGZKBGM-HNNXBMFYSA-N
TotalMolweight	549.489
Molweight	549.489
MonoisotopicMass	547.953379
CLogP	1.6615
CLogS	-5.432
H Acceptors	6
TotalSurfaceArea	336.49
Relative PSA	0.31873
PolarSurfaceArea	140.53
Druglikeness	0.5625
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	3
Amides	2
StereoCon	racemate

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1 - (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

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