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MolName : (2E)-2-[(5S)-5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

MolecularFormula : C23H21N3O3S

Smiles : N#C/C(/C(N1CCOCC1)=O)=C(/N1c2ccccc2)\S[C@@H](Cc2ccccc2)C1=O

InChI : InChI=1S/C23H21N3O3S/c24-16-19(21(27)25-11-13-29-14-12-25)23-26(18-9-5-2-6-10-18)22(28)20(30-23)15-17-7-3-1-4-8-17/h1-10,20H,11-15H2/t20-/m0/s1

InChIK : JDEZBWGFYMVYEN-FQEVSTJZSA-N

TotalMolweight : 419.504

Molweight : 419.504

MonoisotopicMass : 419.130362

CLogP : 3.2419

CLogS : -4.012

H Acceptors : 6

TotalSurfaceArea : 315.54

Relative PSA : 0.23525

PolarSurfaceArea : 98.94

Druglikeness : 1.1782

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : polar activated DB; twice activated DB

Shape Index : 0.46667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 6

Amides : 2

StereoCon : this enantiomer