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

Formula:C25H23N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H23N3OS2
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccc(C3CCCCC3)cc2)NC1=S
InChI	InChI=1S/C25H23N3OS2/c29-24-22(31-25(30)26-24)15-20-16-28(21-9-5-2-6-10-21)27-23(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,29,30)
InChIK	OCQBLFCFRWIMRF-UHFFFAOYSA-N
TotalMolweight	445.61
Molweight	445.61
MonoisotopicMass	445.128252
CLogP	4.2
CLogS	-6.78
H Acceptors	4
H Donors	1
TotalSurfaceArea	339.16
Relative PSA	0.25896
PolarSurfaceArea	104.31
Druglikeness	-0.21281
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
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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