1,13-Diethyl-10-(furan-3-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Basic information
- CAS
61849-15-8- Standard SMILES
CCC1C2Cc3ccc(O)cc3C1(CC)CCN2Cc1ccoc1- InChIKey
HEYXXBUDMDVUNQ-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Names & identifiers
- Preferred name
- 1,13-Diethyl-10-(furan-3-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
- IUPAC
- 1,13-diethyl-10-(furan-3-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
NSC292252NSC-292252
Database identifiers
- CAS
61849-15-8- PubChem CID
- 431328
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 36.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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