Molecule ID: 138388137

IUPAC Name: 2-acetamido-3-[3-(4-chlorophenyl)-4-[(2-chloropyridine-3-carbonyl)amino]phenyl]sulfanylpropanoic acid

Description: The molecule is a member of biphenyls, a member of monochlorobenzenes and a pyridinecarboxamide. It derives from a boscalid.

SMILES: CC(O)=NC(CSc1ccc(NC(=O)c2cccnc2Cl)c(-c2ccc(Cl)cc2)c1)C(=O)O

SELFIES: [C][C][Branch1][C][O][=N][C][Branch2][Ring2][=Branch2][C][S][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C23H19Cl2N3O4S/c1-13(29)27-20(23(31)32)12-33-16-8-9-19(18(11-16)14-4-6-15(24)7-5-14)28-22(30)17-3-2-10-26-21(17)25/h2-11,20H,12H2,1H3,(H,27,29)(H,28,30)(H,31,32)

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 4.4