The Biofilms Structural Database
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
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
Chiral Atoms
n/a
Bond Count
52
Aromatic Bond Count
15
Leaving Atoms