Basic information
- CAS
5794-14-9- Standard SMILES
CC=C1C2CCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4C2)C13- InChIKey
CCNTUVFHVFQEJI-UHFFFAOYSA-N- Molecular formula
- C21H26N2O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.19942808
Names & identifiers
- Preferred name
- 1-(18-Ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl)ethanone
- IUPAC
- 1-(18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl)ethanone
Database identifiers
- CAS
5794-14-9- PubChem CID
- 586129
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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