2-[[2-ethoxy-4-[(E)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Formula:C27H21N2O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-ethoxy-4-[(E)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2-ethoxy-4-[(E)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
MolecularFormula	C27H21N2O4FS
Smiles	CCOc(cc(/C=C(\C(N1Cc(cc2)ccc2F)=O)/SC1=O)cc1)c1OCc(cccc1)c1C#N
InChI	InChI=1S/C27H21FN2O4S/c1-2-33-24-13-19(9-12-23(24)34-17-21-6-4-3-5-20(21)15-29)14-25-26(31)30(27(32)35-25)16-18-7-10-22(28)11-8-18/h3-14H,2,16-17H2,1H3
InChIK	QVYJYDHIEKEAKW-UHFFFAOYSA-N
TotalMolweight	488.538
Molweight	488.538
MonoisotopicMass	488.120606
CLogP	4.7812
CLogS	-6.856
H Acceptors	6
TotalSurfaceArea	368.88
Relative PSA	0.21872
PolarSurfaceArea	104.93
Druglikeness	-2.8795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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1 - 2-[[2-ethoxy-4-[(E)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-ethoxy-4-[(E)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

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