(7bR,11aS)-N-[2-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine

HCID 60071863
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Basic information

Standard SMILES
FC(F)(F)c1ccccc1CNc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2
InChIKey
UCVXIATYRJLTAL-ICSRJNTNSA-N
Molecular formula
C22H24F3N3O
Average molar mass
403.4 g/mol
Monoisotopic mass
403.18714688

Names & identifiers

Preferred name
(7bR,11aS)-N-[2-(trifluoromethyl)benzyl]-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-(trifluoromethyl)phenyl]methyl]-7-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-3-amine

Names & synonyms

(7bR,11aS)-N-[2-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amineSCHEMBL6789837

Database identifiers

PubChem CID
60071863

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
36.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
29

Related reactions

1 records
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Compound notes

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