The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM44831 |
|
|---|---|
6HOB |
|
Code
GJ5 | |
|
Name |
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
|
Molecular Weight |
356.41 |
|
Isomeric SMILES |
CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
|
Formula |
C17H19F3N2OS |
|
Identifiers |
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23) |
|
Atom Count |
43 |
|
InChIKey |
UBQMCDSKFNKYKI-UHFFFAOYSA-N |
|
PDB codes |
6HOB |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
44 |
|
Aromatic Bond Count |
11 |
|
Leaving Atoms |
n/a |