C25H20NO3FS2 | Cheminformatics

(5Z)-3-(2-fluorophenyl)-5-[[5-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H20NO3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(2-fluorophenyl)-5-[[5-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-3-(2-fluorophenyl)-5-[[5-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H20NO3FS2
SmilesCc1c(COc(cc2)c(/C=C(/C(N3c(cccc4)c4F)=O)\SC3=S)cc2OC)cccc1
InChIInChI=1S/C25H20FNO3S2/c1-16-7-3-4-8-17(16)15-30-22-12-11-19(29-2)13-18(22)14-23-24(28)27(25(31)32-23)21-10-6-5-9-20(21)26/h3-14H,15H2,1-2H3
InChIKKTQZLEHKPSMIBG-UHFFFAOYSA-N
TotalMolweight465.568
Molweight465.568
MonoisotopicMass465.086862
CLogP4.6151
CLogS-7
H Acceptors4
TotalSurfaceArea346.87
Relative PSA0.23663
PolarSurfaceArea96.16
Druglikeness1.3258
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms7
Amides1
StereoCon

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