The Biofilms Structural Database

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BDM44852

Code

GJ8

Name

4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

Molecular Weight

469.5

Isomeric SMILES

c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F

Formula

C20H18F3N3O3S2

Identifiers

4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

Formal Charge

0

InChI

InChI=1S/C20H18F3N3O3S2/c21-20(22,23)10-11-24-19(27)15-8-6-14(7-9-15)17-13-30-18(26-17)12-25-31(28,29)16-4-2-1-3-5-16/h1-9,13,25H,10-12H2,(H,24,27)

Atom Count

49

InChIKey

WQGRXKYBROIBEJ-UHFFFAOYSA-N

PDB codes

6HOF

Type

NON-POLYMER

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

51

Aromatic Bond Count

17

Leaving Atoms

n/a