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C23H19N3O3Cl2S | Cheminformatics
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(2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Molecular Formula : C23H19N3O3Cl2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is a drug-like molecule.

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

MolecularFormula : C23H19N3O3Cl2S

Smiles : N#C/C(/C(N1CCOCC1)=O)=C(\N1c2ccccc2)/SC(Cc2cccc(Cl)c2Cl)C1=O

InChI : InChI=1S/C23H19Cl2N3O3S/c24-18-8-4-5-15(20(18)25)13-19-22(30)28(16-6-2-1-3-7-16)23(32-19)17(14-26)21(29)27-9-11-31-12-10-27/h1-8,19H,9-13H2/t19-/m0/s1

InChIK : ILMRSVSVDJWYSB-IBGZPJMESA-N

TotalMolweight : 488.394

Molweight : 488.394

MonoisotopicMass : 487.052416

CLogP : 4.4539

CLogS : -5.484

H Acceptors : 6

TotalSurfaceArea : 346.38

Relative PSA : 0.2143

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 : 0.4375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 9

Electronegative Atoms : 9

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

Click to Load Molecule:
1 - (2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
2 - (2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
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Request More Details | (2Z)-2-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile


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