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

Formula:C27H23N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C27H23N3O2S2
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)N(C2CCCCC2)C1=S
InChI	InChI=1S/C27H23N3O2S2/c31-26-24(34-27(33)30(26)21-12-5-2-6-13-21)16-19-17-29(20-10-3-1-4-11-20)28-25(19)23-15-18-9-7-8-14-22(18)32-23/h1,3-4,7-11,14-17,21H,2,5-6,12-13H2
InChIK	VKCHEBWNNHIDBP-UHFFFAOYSA-N
TotalMolweight	485.631
Molweight	485.631
MonoisotopicMass	485.123167
CLogP	4.4144
CLogS	-7.076
H Acceptors	5
TotalSurfaceArea	362.29
Relative PSA	0.25954
PolarSurfaceArea	108.66
Druglikeness	-0.30545
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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