Basic information
- Standard SMILES
CCOC(=O)c1c(CC2CC2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1- InChIKey
YIICTPYDKJBQLM-UHFFFAOYSA-N- Molecular formula
- C23H22F3NO2
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.16026343
Names & identifiers
- Preferred name
- Ethyl 3-(cyclopropylmethyl)-1-[3-(trifluoromethyl)benzyl]-1H-indole-2-carboxylate
- IUPAC
- ethyl 3-(cyclopropylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
Names & synonyms
Ethyl 3-(cyclopropylmethyl)-1-[3-(trifluoromethyl)benzyl]-1H-indole-2-carboxylateSCHEMBL6851282
Database identifiers
- PubChem CID
- 22676804
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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