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

MolecularFormula : C26H20N4O5S

Smiles : N#C/C(/C(N1CCOCC1)=O)=C1/SC=C(c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)N1c1ccccc1

InChI : InChI=1S/C26H20N4O5S/c27-16-21(25(31)28-12-14-34-15-13-28)26-29(19-4-2-1-3-5-19)22(17-36-26)24-11-10-23(35-24)18-6-8-20(9-7-18)30(32)33/h1-11,17H,12-15H2

InChIK : KXMAALYNWASPCR-UHFFFAOYSA-N

TotalMolweight : 500.534

Molweight : 500.534

MonoisotopicMass : 500.115441

CLogP : 3.7818

CLogS : -6.103

H Acceptors : 9

TotalSurfaceArea : 369.36

Relative PSA : 0.28622

PolarSurfaceArea : 140.83

Druglikeness : -4.2687

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB; twice activated DB; aromatic nitro

Shape Index : 0.5

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 7

Symmetricatoms : 6

Amides : 1

AcidicOxygens : 1

StereoCon :