C23H19NO3S2 | Cheminformatics

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

Formula:C23H19NO3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(furan-2-ylmethyl)-5-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-3-(furan-2-ylmethyl)-5-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC23H19NO3S2
SmilesCc1c(COc2ccc(/C=C(/C(N3Cc4ccco4)=O)\SC3=S)cc2)cccc1
InChIInChI=1S/C23H19NO3S2/c1-16-5-2-3-6-18(16)15-27-19-10-8-17(9-11-19)13-21-22(25)24(23(28)29-21)14-20-7-4-12-26-20/h2-13H,14-15H2,1H3
InChIKPFSGPACQMXPRCU-UHFFFAOYSA-N
TotalMolweight421.54
Molweight421.54
MonoisotopicMass421.080634
CLogP3.6959
CLogS-5.828
H Acceptors4
TotalSurfaceArea321.71
Relative PSA0.26791
PolarSurfaceArea100.07
Druglikeness3.6013
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.62069
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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