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

Formula:C21H17N3O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(3S)-1,1-dioxothiolan-3-yl]-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-[(3S)-1,1-dioxothiolan-3-yl]-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C21H17N3O4S3
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccco2)N([C@@H](CC2)CS2(=O)=O)C1=S
InChI	InChI=1S/C21H17N3O4S3/c25-20-18(30-21(29)24(20)16-8-10-31(26,27)13-16)11-14-12-23(15-5-2-1-3-6-15)22-19(14)17-7-4-9-28-17/h1-7,9,11-12,16H,8,10,13H2/t16-/m1/s1
InChIK	DXDXQYAGVNMLLN-MRXNPFEDSA-N
TotalMolweight	471.581
Molweight	471.581
MonoisotopicMass	471.038117
CLogP	0.9055
CLogS	-4.545
H Acceptors	7
TotalSurfaceArea	328.75
Relative PSA	0.37296
PolarSurfaceArea	151.18
Druglikeness	2.491
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

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

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