Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CSc2cc(-c3cccc(F)c3F)cc3c2N1[C@H]1CCN=C[C@H]31- InChIKey
HLKUQCPCXKZUBW-FAZYOCGDSA-N- Molecular formula
- C24H24F2N2O2S
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl(6bR,10aS)-5-(2,3-difluorophenyl)-1,2,6b,9,10,10a-hexahydropyrido[4,3-b][1,4]thiazino[2,3,4-hi]indole carboxylate
- IUPAC
- tert-butyl (10R,15S)-7-(2,3-difluorophenyl)-4-thia-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),11-tetraene-2-carboxylate
Names & synonyms
HLKUQCPCXKZUBW-FAZYOCGDSA-NTert-butyl(6bR,10aS)-5-(2,3-difluorophenyl)-1,2,6b,9,10,10a-hexahydropyrido[4,3-b][1,4]thiazino[2,3,4-hi]indole carboxylate
Database identifiers
- PubChem CID
- 86759405
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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