Basic information
- Standard SMILES
Fc1cccc(F)c1CNc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2- InChIKey
RECUYIJNBAXANI-JXFKEZNVSA-N- Molecular formula
- C21H23F2N3O
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- (7bR,11aS)-N-(2,6-difluorobenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine
- IUPAC
- (11S,16R)-N-[(2,6-difluorophenyl)methyl]-7-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-3-amine
Names & synonyms
SCHEMBL6490908RECUYIJNBAXANI-JXFKEZNVSA-N(7bR,11aS)-N-(2,6-difluorobenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine
Database identifiers
- PubChem CID
- 60071836
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
1 records
Compound notes
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