Molecule ID: 3206295

IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide

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: COc1cccc(C(C(O)=NCc2ccco2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1

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

InChI: InChI=1S/C27H25N5O5/c1-35-20-8-4-7-19(15-20)26(27(34)28-16-21-9-5-13-36-21)31(17-22-10-6-14-37-22)25(33)18-32-24-12-3-2-11-23(24)29-30-32/h2-15,26H,16-18H2,1H3,(H,28,34)

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.9