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C20H19N3O4BrCl | Cheminformatics
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N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide

Molecular Formula : C20H19N3O4BrCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide is a drug-like molecule.

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

MolecularFormula : C20H19N3O4BrCl

Smiles : O=C(COc(ccc(/C=N\NC(c(cc1)ccc1Cl)=O)c1)c1Br)N1CCOCC1

InChI : InChI=1S/C20H19BrClN3O4/c21-17-11-14(12-23-24-20(27)15-2-4-16(22)5-3-15)1-6-18(17)29-13-19(26)25-7-9-28-10-8-25/h1-6,11-12H,7-10,13H2,(H,24,27)

InChIK : BUPUNFJPXKVEMH-UHFFFAOYSA-N

TotalMolweight : 480.745

Molweight : 480.745

MonoisotopicMass : 479.024745

CLogP : 3.782

CLogS : -4.781

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 324.39

Relative PSA : 0.2238

PolarSurfaceArea : 80.23

Druglikeness : 4.2673

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68966

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

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