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C25H22N3O5Br | Cheminformatics
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N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C25H22N3O5Br | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is not a drug-like molecule.

MolName : N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C25H22N3O5Br

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1

InChI : InChI=1S/C25H22BrN3O5/c26-20-7-9-21(34-16-17-4-2-1-3-5-17)19(12-20)14-28-29-24(30)15-27-25(31)18-6-8-22-23(13-18)33-11-10-32-22/h1-9,12-14H,10-11,15-16H2,(H,27,31)(H,29,30)

InChIK : PKYIDFUDVWGTCU-UHFFFAOYSA-N

TotalMolweight : 524.37

Molweight : 524.37

MonoisotopicMass : 523.074283

CLogP : 4.3374

CLogS : -5.845

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 366.13

Relative PSA : 0.24721

PolarSurfaceArea : 98.25

Druglikeness : -3.6462

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.61765

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

StereoCon :

Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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