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MolName : (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

MolecularFormula : C23H20N3O3ClS

Smiles : N#C/C(/C(N1CCOCC1)=O)=C(\N1c2ccccc2)/SC(Cc(cccc2)c2Cl)C1=O

InChI : InChI=1S/C23H20ClN3O3S/c24-19-9-5-4-6-16(19)14-20-22(29)27(17-7-2-1-3-8-17)23(31-20)18(15-25)21(28)26-10-12-30-13-11-26/h1-9,20H,10-14H2/t20-/m0/s1

InChIK : XNJOOTSUTMAJAO-FQEVSTJZSA-N

TotalMolweight : 453.949

Molweight : 453.949

MonoisotopicMass : 453.091389

CLogP : 3.8479

CLogS : -4.748

H Acceptors : 6

TotalSurfaceArea : 330.96

Relative PSA : 0.22429

PolarSurfaceArea : 98.94

Druglikeness : 1.2234

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : polar activated DB; twice activated DB

Shape Index : 0.45161

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 2

StereoCon : racemate