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C27H24N4O6 | Cheminformatics

[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate

Molecular Formula : C27H24N4O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName : [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate

MolecularFormula : C27H24N4O6

Smiles : O=C(C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI : InChI=1S/C27H24N4O6/c32-24(29-23-9-5-4-8-22(23)26(34)31-14-16-36-17-15-31)25(33)30-28-18-19-10-12-21(13-11-19)37-27(35)20-6-2-1-3-7-20/h1-13,18H,14-17H2,(H,29,32)(H,30,33)

InChIK : RWMFPVCZOLSLPF-UHFFFAOYSA-N

TotalMolweight : 500.51

Molweight : 500.51

MonoisotopicMass : 500.169586

CLogP : 3.2487

CLogS : -4.705

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 383.3

Relative PSA : 0.28735

PolarSurfaceArea : 126.4

Druglikeness : 4.8291

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.62162

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 : 6

Symmetricatoms : 6

Amides : 2

StereoCon :

Request More Details | [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate


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