The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM44850 |
|
|---|---|
6HOE |
|
Code
GH2 | |
|
Name |
ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate |
|
Molecular Weight |
386.39 |
|
Isomeric SMILES |
CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
|
Formula |
C17H17F3N2O3S |
|
Identifiers |
ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24) |
|
Atom Count |
43 |
|
InChIKey |
BTOQSHVHCYLPJO-UHFFFAOYSA-N |
|
PDB codes |
6HOE |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
44 |
|
Aromatic Bond Count |
11 |
|
Leaving Atoms |
n/a |