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MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

MolecularFormula : C19H15N4O3F3

Smiles : O=C(Cn1c(cccc2)c2nc1C(F)(F)F)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C19H15F3N4O3/c20-19(21,22)18-24-13-3-1-2-4-14(13)26(18)11-17(27)25-23-10-12-5-6-15-16(9-12)29-8-7-28-15/h1-6,9-10H,7-8,11H2,(H,25,27)

InChIK : ZTLMJUCQEWEVFL-UHFFFAOYSA-N

TotalMolweight : 404.347

Molweight : 404.347

MonoisotopicMass : 404.109625

CLogP : 3.1452

CLogS : -3.306

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 286.79

Relative PSA : 0.25751

PolarSurfaceArea : 77.74

Druglikeness : -10.835

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.55172

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 2

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :