(7bR,11aS)-N-(3-fluorobenzyl)-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 60071879
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Basic information

Standard SMILES
Fc1cccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c1
InChIKey
DQOWRPFOQQHORU-PMACEKPBSA-N
Molecular formula
C21H24FN3O
Average molar mass
353.4 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL6502245DQOWRPFOQQHORU-PMACEKPBSA-N(7bR,11aS)-N-(3-fluorobenzyl)-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
60071879

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
36.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
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Compound notes

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