(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H29NO4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H29NO4S3
Smiles	CC(C)(C)c1cc(/C=C(/C(N2[C@H](CC3)CS3(=O)=O)=O)\SC2=S)cc(C(C)(C)C)c1O
InChI	InChI=1S/C22H29NO4S3/c1-21(2,3)15-9-13(10-16(18(15)24)22(4,5)6)11-17-19(25)23(20(28)29-17)14-7-8-30(26,27)12-14/h9-11,14,24H,7-8,12H2,1-6H3/b17-11-/t14-/m1/s1
InChIK	UWSICDZFFNVKSA-RQNDZEIBSA-N
TotalMolweight	467.673
Molweight	467.673
MonoisotopicMass	467.125869
CLogP	3.5789
CLogS	-5.706
H Acceptors	5
H Donors	1
TotalSurfaceArea	332.31
Relative PSA	0.31224
PolarSurfaceArea	140.45
Druglikeness	-15.06
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	16
Symmetricatoms	9
Amides	1
StereoCon	this enantiomer

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1 - (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-sulfanylidene-1,3-thiazolidin-4-one

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