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

Formula:C23H18N3O3ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H18N3O3ClS3
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)N(C(CC2)CS2(=O)=O)C1=S
InChI	InChI=1S/C23H18ClN3O3S3/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-/m0/s1
InChIK	AMPOUGCJFWSGHJ-IBGZPJMESA-N
TotalMolweight	516.065
Molweight	516.065
MonoisotopicMass	515.019879
CLogP	2.2858
CLogS	-5.931
H Acceptors	6
TotalSurfaceArea	354.48
Relative PSA	0.30608
PolarSurfaceArea	138.04
Druglikeness	4.0225
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)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

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