Basic information
- Standard SMILES
CN1c2nc(C(F)(F)F)cc(C(F)(F)F)c2C(C)(C)C12CNc1c(cc(N3CCCCC3)c3oc4ccccc4c13)O2- InChIKey
FYLCKMYKYVMYQC-UHFFFAOYSA-N- Molecular formula
- C30H28F6N4O2
- Average molar mass
- 590.6 g/mol
- Monoisotopic mass
- 590.21164512
Names & identifiers
- Preferred name
- 4,6-bis[trifluoromethyl]-1,3,3-trimethyl-6'-piperidinospiro[2H-pyrrolo[2,3-b]pyridine-2,3'-[3H]-[2H-[1,4]benzoxazino[6,5-b]benzofuran]]
- IUPAC
- 1',3',3'-trimethyl-6-piperidin-1-yl-4',6'-bis(trifluoromethyl)spiro[1,2-dihydro-[1]benzofuro[3,2-f][1,4]benzoxazine-3,2'-pyrrolo[2,3-b]pyridine]
Names & synonyms
FYLCKMYKYVMYQC-UHFFFAOYSA-N4,6-bis[trifluoromethyl]-1,3,3-trimethyl-6'-piperidinospiro[2H-pyrrolo[2,3-b]pyridine-2,3'-[3H]-[2H-[1,4]benzoxazino[6,5-b]benzofuran]]
Database identifiers
- PubChem CID
- 53824969
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 1
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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