tert-butyl 1-[[2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazol-7-yl]sulfonyl]pyrrolidine-2-carboxylate
Basic information
- Standard SMILES
Cc1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)N6CCCC6C(=O)OC(C)(C)C)cc(O)c54)[nH]3)c2)cc1C- InChIKey
MFYSDHXZECYPNR-UHFFFAOYSA-N- Molecular formula
- C34H35N3O5S
- Average molar mass
- 597.7 g/mol
- Monoisotopic mass
- 597.2297424
Names & identifiers
- Preferred name
- tert-butyl 1-[[2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazol-7-yl]sulfonyl]pyrrolidine-2-carboxylate
- IUPAC
- tert-butyl 1-[[2-[3-(3,4-dimethylphenyl)phenyl]-9-hydroxy-3H-benzo[e]benzimidazol-7-yl]sulfonyl]pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL6315946
Database identifiers
- PubChem CID
- 69739191
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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