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MolName : N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyridine-2-carboxamide

MolecularFormula : C19H19N4O4Br

Smiles : O=C(COc(ccc(/C=N\NC(c1ncccc1)=O)c1)c1Br)N1CCOCC1

InChI : InChI=1S/C19H19BrN4O4/c20-15-11-14(12-22-23-19(26)16-3-1-2-6-21-16)4-5-17(15)28-13-18(25)24-7-9-27-10-8-24/h1-6,11-12H,7-10,13H2,(H,23,26)

InChIK : YDPUUIYTHZVJSU-UHFFFAOYSA-N

TotalMolweight : 447.288

Molweight : 447.288

MonoisotopicMass : 446.058967

CLogP : 2.2291

CLogS : -3.274

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 307.73

Relative PSA : 0.27157

PolarSurfaceArea : 93.12

Druglikeness : 4.2447

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.67857

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :