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C26H21N3O5S | Cheminformatics
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(2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Molecular Formula : C26H21N3O5S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is a drug-like molecule.

MolName : (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

MolecularFormula : C26H21N3O5S

Smiles : N#C/C(/C(N1CCOCC1)=O)=C1/SC=C(c2ccc(-c(cc(cc3)O)c3O)o2)N1c1ccccc1

InChI : InChI=1S/C26H21N3O5S/c27-15-20(25(32)28-10-12-33-13-11-28)26-29(17-4-2-1-3-5-17)21(16-35-26)24-9-8-23(34-24)19-14-18(30)6-7-22(19)31/h1-9,14,16,30-31H,10-13H2

InChIK : PRSZTBVROKZAGN-UHFFFAOYSA-N

TotalMolweight : 487.535

Molweight : 487.535

MonoisotopicMass : 487.120192

CLogP : 4.012

CLogS : -5.051

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 358.39

Relative PSA : 0.28321

PolarSurfaceArea : 135.47

Druglikeness : 0.74541

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB; twice activated DB

Shape Index : 0.45714

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 1

StereoCon :

Click to Load Molecule:
1 - (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
2 - (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
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Request More Details | (2Z)-2-[4-[5-(2,5-dihydroxyphenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile


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