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C26H22N4O6 | Cheminformatics
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N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C26H22N4O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName : N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C26H22N4O6

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cc1

InChI : InChI=1S/C26H22N4O6/c31-25(19-5-7-21-23(13-19)35-11-9-33-21)29-27-15-17-1-2-18(4-3-17)16-28-30-26(32)20-6-8-22-24(14-20)36-12-10-34-22/h1-8,13-16H,9-12H2,(H,29,31)(H,30,32)

InChIK : FZTZCLKVTHPNFT-UHFFFAOYSA-N

TotalMolweight : 486.483

Molweight : 486.483

MonoisotopicMass : 486.153936

CLogP : 4.7012

CLogS : -6.19

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 368.76

Relative PSA : 0.30377

PolarSurfaceArea : 119.84

Druglikeness : -2.8595

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 19

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2 - N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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Request More Details | N-[(Z)-[4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide


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