Molecule ID: 53241505

IUPAC Name: (E)-3-(4-tert-butylphenyl)-3-(6-chloropyridin-3-yl)-1-morpholin-4-ylprop-2-en-1-one

Description: The molecule is an enamide resulting from the formal condensation of 3-(p-tert-butylphenyl)-3-(6-chloropyridin-2-yl)acrylic acid with the amino group of morpholine. A fungicide developed in China, it shows high antifungal activity against diseases caused by Phytophthora infestans, Phytophthora capsici, Rhizoctonia solani, Peronophythora litchi, and Pseudoperonospora cubensis. It has a role as a fungicide. It is a member of morpholines, a chloropyridine, a tertiary carboxamide and an enamide.

SMILES: CC(C)(C)c1ccc(/C(=C\C(=O)N2CCOCC2)c2ccc(Cl)nc2)cc1

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

InChI: InChI=1S/C22H25ClN2O2/c1-22(2,3)18-7-4-16(5-8-18)19(17-6-9-20(23)24-15-17)14-21(26)25-10-12-27-13-11-25/h4-9,14-15H,10-13H2,1-3H3/b19-14+

Molecular Properties:
- Polar Surface Area: 42.4 Ų
- LogP: 4.9