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

Formula:C23H18N3O3FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H18N3O3FS3
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)N(C(CC2)CS2(=O)=O)C1=S
InChI	InChI=1S/C23H18FN3O3S3/c24-17-8-6-15(7-9-17)21-16(13-26(25-21)18-4-2-1-3-5-18)12-20-22(28)27(23(31)32-20)19-10-11-33(29,30)14-19/h1-9,12-13,19H,10-11,14H2/t19-/m1/s1
InChIK	VBUPOIGBWXIZNG-LJQANCHMSA-N
TotalMolweight	499.61
Molweight	499.61
MonoisotopicMass	499.04943
CLogP	1.7806
CLogS	-5.509
H Acceptors	6
TotalSurfaceArea	345.41
Relative PSA	0.31412
PolarSurfaceArea	138.04
Druglikeness	2.3528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
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-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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