Molecule ID: 25323004

IUPAC Name: 2-ethoxy-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the tetrazole NH group and carboxy group of candesartan. It is the major species at pH 7.3. It is a conjugate base of a candesartan.

SMILES: CCOc1[nH]c2cccc(C(=O)[O-])c2[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

SELFIES: [C][C][O][C][NH1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N+1][=Ring1][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]

InChI: InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H2,26,27,28,29,31,32)/p-2

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 4.1