Molecule ID: 45479628

IUPAC Name: [2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl] sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of Renilla luciferyl sulfate; major species at pH 7.3. It is a conjugate base of a Renilla luciferyl sulfate.

SMILES: O=S(=O)(O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccc([O-])cc3)cn12

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][O][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C26H21N3O5S/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)34-35(31,32)33)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,31,32,33)/p-1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 5.2