Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C20H19N4O4Br | Cheminformatics
Menu

N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

Molecular Formula : C20H19N4O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is a drug-like molecule.

MolName : N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

MolecularFormula : C20H19N4O4Br

Smiles : O=C(C(N/N=C\c1cccc(Br)c1)=O)Nc(cccc1)c1C(N1CCOCC1)=O

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

InChIK : LIXUXYYOFRGSSA-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 :

Click to Load Molecule:
1 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments