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C20H19N4O4Br | Cheminformatics

N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

Molecular Formula : C20H19N4O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is a drug-like molecule.

MolName : N'-[(Z)-(2-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

MolecularFormula : C20H19N4O4Br

Smiles : O=C(C(N/N=C\c(cccc1)c1Br)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI : InChI=1S/C20H19BrN4O4/c21-16-7-3-1-5-14(16)13-22-24-19(27)18(26)23-17-8-4-2-6-15(17)20(28)25-9-11-29-12-10-25/h1-8,13H,9-12H2,(H,23,26)(H,24,27)

InChIK : OOZLSYFMIQGJEZ-UHFFFAOYSA-N

TotalMolweight : 459.299

Molweight : 459.299

MonoisotopicMass : 458.058967

CLogP : 2.5434

CLogS : -4.069

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 314.42

Relative PSA : 0.27702

PolarSurfaceArea : 100.1

Druglikeness : 3.2159

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 2

StereoCon :

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