Basic information
- CAS
15954-21-9- Standard SMILES
O=c1cccc2n1CC1CC2CN(CC(O)COc2ccc([N+](=O)[O-])cc2)C1- InChIKey
WUMUCFZSQDCNCH-UHFFFAOYSA-N- Molecular formula
- C20H23N3O5
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.16377084
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-Hexahydro-3-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- IUPAC
- 11-[2-hydroxy-3-(4-nitrophenoxy)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Names & synonyms
DTXSID6011092251,2,3,4,5,6-Hexahydro-3-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one15954-21-9
Database identifiers
- CAS
15954-21-9- PubChem CID
- 165367484
- DTXSID
DTXSID601109225
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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