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C31H27N4O5Br | Cheminformatics

N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

Molecular Formula : C31H27N4O5Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.

MolName : N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

MolecularFormula : C31H27N4O5Br

Smiles : O=C(C(N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI : InChI=1S/C31H27BrN4O5/c32-23-8-5-6-21(18-23)20-41-28-13-12-22-7-1-2-9-24(22)26(28)19-33-35-30(38)29(37)34-27-11-4-3-10-25(27)31(39)36-14-16-40-17-15-36/h1-13,18-19H,14-17,20H2,(H,34,37)(H,35,38)

InChIK : ABXADUWXDYTSJU-UHFFFAOYSA-N

TotalMolweight : 615.482

Molweight : 615.482

MonoisotopicMass : 614.116482

CLogP : 5.0859

CLogS : -7.016

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 432.54

Relative PSA : 0.22449

PolarSurfaceArea : 109.33

Druglikeness : 3.2159

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.5122

Fragments : 1

Non HAtoms : 41

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 8

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 2

StereoCon :

Request More Details | N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide


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