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MolName : 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide

MolecularFormula : C24H22N3O5BrS

Smiles : O=C(CN(Cc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c1cccc(Br)c1

InChI : InChI=1S/C24H22BrN3O5S/c25-20-8-4-7-19(13-20)15-26-27-24(29)17-28(16-18-5-2-1-3-6-18)34(30,31)21-9-10-22-23(14-21)33-12-11-32-22/h1-10,13-15H,11-12,16-17H2,(H,27,29)

InChIK : DTBXNIXIWQNENO-UHFFFAOYSA-N

TotalMolweight : 544.425

Molweight : 544.425

MonoisotopicMass : 543.046353

CLogP : 4.1872

CLogS : -4.961

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 365.8

Relative PSA : 0.24095

PolarSurfaceArea : 105.68

Druglikeness : -4.4363

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.5

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 3

Amides : 1

StereoCon :