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

Formula:C32H22N3OClS2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is not a drug-like molecule.

MolName	(5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
MolecularFormula	C32H22N3OClS2
Smiles	O=C(N(Cc(cc1)ccc1Cl)C1=S)S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C32H22ClN3OS2/c33-26-15-11-23(12-16-26)21-35-31(38)30(39-32(35)37)19-22-13-17-27(18-14-22)36-29(25-9-5-2-6-10-25)20-28(34-36)24-7-3-1-4-8-24/h1-20H,21H2
InChIK	OZMYPSULQFGUTO-UHFFFAOYSA-N
TotalMolweight	564.132
Molweight	564.132
MonoisotopicMass	563.089279
CLogP	6.655
CLogS	-9.074
H Acceptors	4
TotalSurfaceArea	418.9
Relative PSA	0.19079
PolarSurfaceArea	95.52
Druglikeness	5.5583
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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

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