tert-butyl (4aS*,5R*,10bS*)-5-phenyl-3,4,4a,5,6,10b-hexahydrobenzo[h]-1,6-naphthyridine-1(2H)-carboxylate

HCID 67150720
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1c1ccccc1N[C@H]2c1ccccc1
InChIKey
OCPPRJKFXMIYHK-SESVDKBCSA-N
Molecular formula
C23H28N2O2
Average molar mass
364.5 g/mol
Monoisotopic mass
364.21507814

Names & identifiers

Preferred name
tert-butyl (4aS*,5R*,10bS*)-5-phenyl-3,4,4a,5,6,10b-hexahydrobenzo[h]-1,6-naphthyridine-1(2H)-carboxylate
IUPAC
tert-butyl (4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,6]naphthyridine-1-carboxylate

Names & synonyms

SCHEMBL1757230OCPPRJKFXMIYHK-SESVDKBCSA-Ntert-butyl (4aS*,5R*,10bS*)-5-phenyl-3,4,4a,5,6,10b-hexahydrobenzo[h]-1,6-naphthyridine-1(2H)-carboxylate

Database identifiers

PubChem CID
67150720

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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