Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C17H20N4O4BrS 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | Chemryt

2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

Molecular Formula : C17H20N4O4BrS | Mutagenic : high | Tumorigenic : none | Reproductive Effective : |

MolName : 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

MolecularFormula : C17H20N4O4BrS

Smiles : O=C(C[NH+](CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1ccco1

InChI : InChI=1S/C17H19BrN4O4S/c18-14-3-5-16(6-4-14)27(24,25)22-9-7-21(8-10-22)13-17(23)20-19-12-15-2-1-11-26-15/h1-6,11-12H,7-10,13H2,(H,20,23)/p+1

InChIK : SWRAGCLZHDIIPC-UHFFFAOYSA-O

TotalMolweight : 456.34

Molweight : 456.34

MonoisotopicMass : 455.038862

CLogP : -0.1971

CLogS : -2.707

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 313.83

Relative PSA : 0.31813

PolarSurfaceArea : 104.8

Druglikeness : 4.3706

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 5

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

Request More Details | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments