Basic information
- Standard SMILES
CCN(CC)CCN1C(=O)C(O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)OC(C)(C)C)cc2C(F)(F)F- InChIKey
MSTFXFRROZPKLM-UHFFFAOYSA-N- Molecular formula
- C34H37F3N2O4
- Average molar mass
- 594.7 g/mol
Names & identifiers
- Preferred name
- 1-(2-Diethylaminoethyl)-4-trifluoromethyl-6-(4-t-butoxycarbonyl-1-butynyl)-3-hydroxy-3-(2-naphthyl)oxindole
- IUPAC
- tert-butyl 5-[1-[2-(diethylamino)ethyl]-3-hydroxy-3-naphthalen-2-yl-2-oxo-4-(trifluoromethyl)indol-6-yl]pent-4-ynoate
Names & synonyms
1-(2-diethylaminoethyl)-4-trifluoromethyl-6-(4-t-butoxycarbonyl-1-butynyl)-3-hydroxy-3-(2-naphthyl)oxindoleSCHEMBL6180361
Database identifiers
- PubChem CID
- 18518554
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
3 records
Compound notes
Loading…