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

Formula:C25H22N3OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H22N3OClS2
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)N(C2CCCCC2)C1=S
InChI	InChI=1S/C25H22ClN3OS2/c26-19-13-11-17(12-14-19)23-18(16-28(27-23)20-7-3-1-4-8-20)15-22-24(30)29(25(31)32-22)21-9-5-2-6-10-21/h1,3-4,7-8,11-16,21H,2,5-6,9-10H2
InChIK	QCGCGCBAGLLHKM-UHFFFAOYSA-N
TotalMolweight	480.055
Molweight	480.055
MonoisotopicMass	479.089279
CLogP	4.4778
CLogS	-6.961
H Acceptors	4
TotalSurfaceArea	353.42
Relative PSA	0.22613
PolarSurfaceArea	95.52
Druglikeness	-0.26519
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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