(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C23H19N3O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H19N3O3S3
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)N(C(CC2)CS2(=O)=O)C1=S
InChI	InChI=1S/C23H19N3O3S3/c27-22-20(31-23(30)26(22)19-11-12-32(28,29)15-19)13-17-14-25(18-9-5-2-6-10-18)24-21(17)16-7-3-1-4-8-16/h1-10,13-14,19H,11-12,15H2/t19-/m1/s1
InChIK	KRXPYMYTXNKEIY-LJQANCHMSA-N
TotalMolweight	481.62
Molweight	481.62
MonoisotopicMass	481.058852
CLogP	1.6798
CLogS	-5.195
H Acceptors	6
TotalSurfaceArea	339.06
Relative PSA	0.32
PolarSurfaceArea	138.04
Druglikeness	3.0449
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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