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C27H26N4O5 | Cheminformatics

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

Molecular Formula : C27H26N4O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is a drug-like molecule.

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

MolecularFormula : C27H26N4O5

Smiles : O=C(C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI : InChI=1S/C27H26N4O5/c32-25(29-24-9-5-4-8-23(24)27(34)31-14-16-35-17-15-31)26(33)30-28-18-20-10-12-22(13-11-20)36-19-21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,29,32)(H,30,33)

InChIK : PIPFALHLDJAFIQ-UHFFFAOYSA-N

TotalMolweight : 486.526

Molweight : 486.526

MonoisotopicMass : 486.190321

CLogP : 3.1663

CLogS : -4.576

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 379.31

Relative PSA : 0.25599

PolarSurfaceArea : 109.33

Druglikeness : 5.0059

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63889

Fragments : 1

Non HAtoms : 36

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 6

Amides : 2

StereoCon :

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