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C20H20N3O4Br | Cheminformatics
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N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide

Molecular Formula : C20H20N3O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.

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

MolecularFormula : C20H20N3O4Br

Smiles : O=C(COc(ccc(/C=N\NC(c1ccccc1)=O)c1)c1Br)N1CCOCC1

InChI : InChI=1S/C20H20BrN3O4/c21-17-12-15(13-22-23-20(26)16-4-2-1-3-5-16)6-7-18(17)28-14-19(25)24-8-10-27-11-9-24/h1-7,12-13H,8-11,14H2,(H,23,26)

InChIK : DCVIZOQZKWLSSW-UHFFFAOYSA-N

TotalMolweight : 446.3

Molweight : 446.3

MonoisotopicMass : 445.063718

CLogP : 3.176

CLogS : -4.045

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 308.97

Relative PSA : 0.23497

PolarSurfaceArea : 80.23

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 : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

StereoCon :

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1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
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