The Biofilms Structural Database
Name
4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate
Molecular Weight
527.62
Isomeric SMILES
Cc1cc(Br)cc(CNC(=O)c2ccccc2Cl)c1OC(=O)c1ccc(Cl)cc1Cl
Formula
C22H15BrCl3NO3
Identifiers
[4-bromo-2-[[(2-chlorophenyl)carbonylamino]methyl]-6-methyl-phenyl] 2,4-dichlorobenzoate
Formal Charge
0
InChI
InChI=1S/C22H15BrCl3NO3/c1-12-8-14(23)9-13(11-27-21(28)16-4-2-3-5-18(16)25)20(12)30-22(29)17-7-6-15(24)10-19(17)26/h2-10H,11H2,1H3,(H,27,28)
Atom Count
45
InChIKey
ZKSVHHXAFVAAHC-UHFFFAOYSA-N
PDB codes
3JPU
Type
Non-polymer
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
47
Aromatic Bond Count
18
Leaving Atoms