Basic information
- Standard SMILES
COC(=O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C- InChIKey
JVYQCULMPHHENR-OUKQBFOZSA-N- Molecular formula
- C21H20FNO2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.14780704
Names & identifiers
- Preferred name
- methyl trans-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]acrylate
- IUPAC
- methyl (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enoate
Names & synonyms
SCHEMBL1882554JVYQCULMPHHENR-OUKQBFOZSA-Nmethyl trans-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]acrylate(E)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenoic acid methyl ester
Database identifiers
- PubChem CID
- 11221407
- Nikkaji
- J2.170.742B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
12 records
Compound notes
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