The Biofilms Structural Database
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
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
Chiral Atoms
n/a
Bond Count
44
Aromatic Bond Count
11
Leaving Atoms