The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM41325 |
|
|---|---|
6HO0 |
|
Code
GFK | |
|
Name |
4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one |
|
Molecular Weight |
440.44 |
|
Isomeric SMILES |
COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F |
|
Formula |
C19H19F3N4O3S |
|
Identifiers |
4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3 |
|
Atom Count |
49 |
|
InChIKey |
MDFQKZXRTVTODM-UHFFFAOYSA-N |
|
PDB codes |
6HO0 |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
52 |
|
Aromatic Bond Count |
15 |
|
Leaving Atoms |
n/a |