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C27H25N4O5Br | Cheminformatics

N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

Molecular Formula : C27H25N4O5Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.

MolName : N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

MolecularFormula : C27H25N4O5Br

Smiles : O=C(C(N/N=C\c(cc(cc1)OCc2ccccc2)c1Br)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI : InChI=1S/C27H25BrN4O5/c28-23-11-10-21(37-18-19-6-2-1-3-7-19)16-20(23)17-29-31-26(34)25(33)30-24-9-5-4-8-22(24)27(35)32-12-14-36-15-13-32/h1-11,16-17H,12-15,18H2,(H,30,33)(H,31,34)

InChIK : HCYFLTAXOWQHKA-UHFFFAOYSA-N

TotalMolweight : 565.423

Molweight : 565.423

MonoisotopicMass : 564.100832

CLogP : 3.8915

CLogS : -5.41

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 397.94

Relative PSA : 0.24401

PolarSurfaceArea : 109.33

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 : 0.59459

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 2

StereoCon :

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