The Biofilms Structural Database |
TP3 |
|
---|---|
3IX8 |
|
Code
TX3 | |
Name |
2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate |
Molecular Weight |
537.63 |
Isomeric SMILES |
Cc1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1Cl |
Formula |
C22H16Br2ClNO3 |
Identifiers |
[2,4-dibromo-6-[[(2-chlorophenyl)carbonylamino]methyl]phenyl] 2-methylbenzoate |
Formal Charge |
0 |
InChI |
InChI=1S/C22H16Br2ClNO3/c1-13-6-2-3-7-16(13)22(28)29-20-14(10-15(23)11-18(20)24)12-26-21(27)17-8-4-5-9-19(17)25/h2-11H,12H2,1H3,(H,26,27) |
Atom Count |
45 |
InChIKey |
ZXLLGHNQLPHULK-UHFFFAOYSA-N |
PDB codes |
3IX8 |
Type |
Non-polymer |
Chiral Atom Count |
0 |
Chiral Atoms |
n/a |
Bond Count |
47 |
Aromatic Bond Count |
18 |
Leaving Atoms |
n/a |