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C26H18N2O4S2 | Cheminformatics
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(E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile

Molecular Formula : C26H18N2O4S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName : (E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile

MolecularFormula : C26H18N2O4S2

Smiles : COc(ccc(/C=C(/C(N1/C=C(/C(c2cc3ccccc3cc2)=O)\C#N)=O)\SC1=S)c1)c1OC

InChI : InChI=1S/C26H18N2O4S2/c1-31-21-10-7-16(11-22(21)32-2)12-23-25(30)28(26(33)34-23)15-20(14-27)24(29)19-9-8-17-5-3-4-6-18(17)13-19/h3-13,15H,1-2H3

InChIK : DIJOXUCFKHURBM-UHFFFAOYSA-N

TotalMolweight : 486.571

Molweight : 486.571

MonoisotopicMass : 486.070798

CLogP : 3.4714

CLogS : -7.162

H Acceptors : 6

TotalSurfaceArea : 365.77

Relative PSA : 0.29713

PolarSurfaceArea : 137.02

Druglikeness : -0.7751

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.55882

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 6

Amides : 1

StereoCon :

Click to Load Molecule:
1 - (E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile
2 - (E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile
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Request More Details | (E)-3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(naphthalene-2-carbonyl)prop-2-enenitrile


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