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C27H23N4O6Br | Cheminformatics

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

Molecular Formula : C27H23N4O6Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

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

MolecularFormula : C27H23N4O6Br

Smiles : O=C(C(N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI : InChI=1S/C27H23BrN4O6/c28-20-9-7-19(8-10-20)27(36)38-21-11-5-18(6-12-21)17-29-31-25(34)24(33)30-23-4-2-1-3-22(23)26(35)32-13-15-37-16-14-32/h1-12,17H,13-16H2,(H,30,33)(H,31,34)

InChIK : FPURMXJQJFRHPJ-UHFFFAOYSA-N

TotalMolweight : 579.406

Molweight : 579.406

MonoisotopicMass : 578.080097

CLogP : 3.9739

CLogS : -5.539

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 401.93

Relative PSA : 0.27403

PolarSurfaceArea : 126.4

Druglikeness : 3.0391

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63158

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 11

Electronegative Atoms : 11

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] 4-bromobenzoate


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