Na[14a(Benzylamino)a3,4adimethoxya6amethyla13a oxotricyclo[9.5.0.02,7]hexadecaa 1(16),2(7),3,5,11,14ahexaena10ayl]acetamide
Basic information
- Standard SMILES
COc1cc(C)c2c(c1OC)-c1ccc(NCc3ccccc3)c(=O)cc1C(NC(C)=O)CC2- InChIKey
GZVVUOLIIFWMDQ-UHFFFAOYSA-N- Molecular formula
- C28H30N2O4
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.22055744
Names & identifiers
- Preferred name
- Na[14a(Benzylamino)a3,4adimethoxya6amethyla13a oxotricyclo[9.5.0.02,7]hexadecaa 1(16),2(7),3,5,11,14ahexaena10ayl]acetamide
- IUPAC
- N-[10-(benzylamino)-1,2-dimethoxy-4-methyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Names & synonyms
DTXSID901025882Na[14a(Benzylamino)a3,4adimethoxya6amethyla13a oxotricyclo[9.5.0.02,7]hexadecaa 1(16),2(7),3,5,11,14ahexaena10ayl]acetamide
Database identifiers
- PubChem CID
- 23277366
- DTXSID
DTXSID901025882
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 854
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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