Basic information
- Standard SMILES
CCN(CC)C(=O)n1cc(Cc2ccc(C(=O)O)cc2OC)c2cc(C(=O)NCC(C)CC(F)(F)F)ccc21- InChIKey
QQMAKFFLQAVKRC-UHFFFAOYSA-N- Molecular formula
- C28H32F3N3O5
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- 4-[1-diethylcarbamoyl-5-(4,4,4-trifluoro-2-methylbutylcarbamoyl)-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid
- IUPAC
- 4-[[1-(diethylcarbamoyl)-5-[(4,4,4-trifluoro-2-methylbutyl)carbamoyl]indol-3-yl]methyl]-3-methoxybenzoic acid
Names & synonyms
4-[1-diethylcarbamoyl-5-(4,4,4-trifluoro-2-methylbutylcarbamoyl)-1H-indol-3-ylmethyl]-3-methoxy-benzoic acidSCHEMBL8423638
Database identifiers
- PubChem CID
- 21841124
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 853
Related reactions
2 records
Compound notes
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