The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM44852 |
|
|---|---|
6HOF |
|
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 |