1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[2-(4-azidophenyl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-, (1R)-
Basic information
- CAS
82438-75-3- Standard SMILES
[N-]=[N+]=Nc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1- InChIKey
ZPIFFSLFQUFZGK-DZGCQCFKSA-N- Molecular formula
- C19H19N5O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.15387487
Names & identifiers
- Preferred name
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[2-(4-azidophenyl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-, (1R)-
- IUPAC
- (1R,9S)-11-[2-(4-azidophenyl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Names & synonyms
DTXSID9011082261,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[2-(4-azidophenyl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-, (1R)-82438-75-3
Database identifiers
- CAS
82438-75-3- PubChem CID
- 165367388
- DTXSID
DTXSID901108226
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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