Molecule ID: 1083882

IUPAC Name: 1-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-cyclopentylcyclohexane-1-carboxamide

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: COc1ccc(N(C(=O)Cn2nnc3ccccc32)C2(C(O)=NC3CCCC3)CCCCC2)cc1

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

InChI: InChI=1S/C27H33N5O3/c1-35-22-15-13-21(14-16-22)32(25(33)19-31-24-12-6-5-11-23(24)29-30-31)27(17-7-2-8-18-27)26(34)28-20-9-3-4-10-20/h5-6,11-16,20H,2-4,7-10,17-19H2,1H3,(H,28,34)

Molecular Properties:
- Polar Surface Area: 89.4 Ų
- LogP: 4.5