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MolName : N-[(Z)-(4-quinazolin-4-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C24H18N4O4

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1Oc1ncnc2ccccc12

InChI : InChI=1S/C24H18N4O4/c29-23(17-7-10-21-22(13-17)31-12-11-30-21)28-27-14-16-5-8-18(9-6-16)32-24-19-3-1-2-4-20(19)25-15-26-24/h1-10,13-15H,11-12H2,(H,28,29)

InChIK : BXUWUMUPEILZMB-UHFFFAOYSA-N

TotalMolweight : 426.431

Molweight : 426.431

MonoisotopicMass : 426.132806

CLogP : 4.6811

CLogS : -7.222

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 322.89

Relative PSA : 0.27238

PolarSurfaceArea : 94.93

Druglikeness : -2.8595

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.625

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 5

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :