The Biofilms Structural Database

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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