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C19H21N4O3BrFS 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | Chemryt

2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

Molecular Formula : C19H21N4O3BrFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

MolecularFormula : C19H21N4O3BrFS

Smiles : O=C(C[NH+](CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cc(F)ccc1

InChI : InChI=1S/C19H20BrFN4O3S/c20-16-4-6-18(7-5-16)29(27,28)25-10-8-24(9-11-25)14-19(26)23-22-13-15-2-1-3-17(21)12-15/h1-7,12-13H,8-11,14H2,(H,23,26)/p+1

InChIK : FBNWHLFOFLEOOZ-UHFFFAOYSA-O

TotalMolweight : 484.369

Molweight : 484.369

MonoisotopicMass : 483.050175

CLogP : 0.715

CLogS : -3.339

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 330.49

Relative PSA : 0.2594

PolarSurfaceArea : 91.66

Druglikeness : 1.6068

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.65517

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 5

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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