Molecule ID: 3197965

IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide

Description: The molecule is an organooxygen compound and an organonitrogen compound. It has a role as an anticoronaviral agent. It derives from an alpha-amino acid.

SMILES: Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)C(C(O)=NC(C)(C)C)c2ccsc2)c(C)c1

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

InChI: InChI=1S/C27H31N5O2S/c1-17-13-18(2)24(19(3)14-17)32(23(33)15-31-22-10-8-7-9-21(22)29-30-31)25(20-11-12-35-16-20)26(34)28-27(4,5)6/h7-14,16,25H,15H2,1-6H3,(H,28,34)

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 5.1