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C22H18N4O3S | Cheminformatics
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(2E)-3-morpholin-4-yl-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanenitrile

Molecular Formula : C22H18N4O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(2E)-3-morpholin-4-yl-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanenitrile is a drug-like molecule.

MolName : (2E)-3-morpholin-4-yl-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanenitrile

MolecularFormula : C22H18N4O3S

Smiles : N#C/C(/C(N1CCOCC1)=O)=C(/N(C1=O)c2ccccc2)\S/C1=C\c1ncccc1

InChI : InChI=1S/C22H18N4O3S/c23-15-18(20(27)25-10-12-29-13-11-25)22-26(17-7-2-1-3-8-17)21(28)19(30-22)14-16-6-4-5-9-24-16/h1-9,14H,10-13H2

InChIK : YCDAJYOHBKWSTQ-UHFFFAOYSA-N

TotalMolweight : 418.476

Molweight : 418.476

MonoisotopicMass : 418.109961

CLogP : 2.2944

CLogS : -3.74

H Acceptors : 7

TotalSurfaceArea : 312.75

Relative PSA : 0.27242

PolarSurfaceArea : 111.83

Druglikeness : 0.61564

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 : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

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1 - (2E)-3-morpholin-4-yl-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanenitrile
2 - (2E)-3-morpholin-4-yl-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanenitrile
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