Molecule ID: 135886636

IUPAC Name: 4-benzyl-4-[[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]amino]dioxetan-3-one

Description: The molecule is a member of the class of oxidized luciferins that is obtained via formal oxidative cleavage of Renilla luciferin. It has a role as a member of oxidized luciferins. It is a member of pyrazines, an organic peroxide, a member of phenols, an aromatic amine and a secondary amino compound. It derives from a Renilla luciferin.

SMILES: O=C1OOC1(Cc1ccccc1)N=c1[nH]cc(-c2ccc(O)cc2)nc1Cc1ccccc1

SELFIES: [O][=C][O][O][C][Ring1][Ring2][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][NH1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C26H21N3O4/c30-21-13-11-20(12-14-21)23-17-27-24(22(28-23)15-18-7-3-1-4-8-18)29-26(25(31)32-33-26)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,27,29)

Molecular Properties:
- Polar Surface Area: 93.6 Ų
- LogP: 5.0