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MolName : 4-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

MolecularFormula : C21H18N6O3

Smiles : O=C(COc(cc1)ccc1C(N/N=C\c1ccncc1)=O)N/N=C\c1ccncc1

InChI : InChI=1S/C21H18N6O3/c28-20(26-24-13-16-5-9-22-10-6-16)15-30-19-3-1-18(2-4-19)21(29)27-25-14-17-7-11-23-12-8-17/h1-14H,15H2,(H,26,28)(H,27,29)

InChIK : JXARFASPHOOGOY-UHFFFAOYSA-N

TotalMolweight : 402.413

Molweight : 402.413

MonoisotopicMass : 402.144039

CLogP : 2.3167

CLogS : -4.016

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 322

Relative PSA : 0.32286

PolarSurfaceArea : 117.93

Druglikeness : 4.1966

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.73333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 2

Symmetricatoms : 6

Aromatic Nitrogens : 2

StereoCon :