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MolName : (3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

MolecularFormula : C18H16N2O5

Smiles : O=C([C@H]1Oc(cccc2)c2OC1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C18H16N2O5/c21-18(17-11-24-13-3-1-2-4-15(13)25-17)20-19-10-12-5-6-14-16(9-12)23-8-7-22-14/h1-6,9-10,17H,7-8,11H2,(H,20,21)/t17-/m0/s1

InChIK : FBXLWFSKPKBYNW-KRWDZBQOSA-N

TotalMolweight : 340.334

Molweight : 340.334

MonoisotopicMass : 340.105923

CLogP : 2.7225

CLogS : -3.925

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 253.77

Relative PSA : 0.29952

PolarSurfaceArea : 78.38

Druglikeness : -1.9594

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

StereoCon : this enantiomer