Basic information
- Standard SMILES
COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2c(ccc3cc(-c4ccc(C(=O)OC)cc4OC(F)(F)F)ccc32)[nH]1)C(C)C- InChIKey
GEINFXTYPPGRLW-CIHKJSBTSA-N- Molecular formula
- C32H33F3N4O6
- Average molar mass
- 626.6 g/mol
Names & identifiers
- Preferred name
- 4-{2-[(2S,4S)-1-((S)-2-Methoxycarbonylamino-3-methyl-butyryl)-4-methyl-pyrrolidin-2-yl]-3H-naphth[1,2-d]imidazol-7-yl}-3-trifluoromethoxy-benzoic acid methyl ester
- IUPAC
- methyl 4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3-(trifluoromethoxy)benzoate
Names & synonyms
4-{2-[(2S,4S)-1-((S)-2-Methoxycarbonylamino-3-methyl-butyryl)-4-methyl-pyrrolidin-2-yl]-3H-naphth[1,2-d]imidazol-7-yl}-3-trifluoromethoxy-benzoic acid methyl esterSCHEMBL15348339
Database identifiers
- PubChem CID
- 86700540
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
2 records
Compound notes
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