Methyl 9-acetyl-6-benzyl-1,3-dimethyl-5-oxo-2,4-dioxa-9-azatricyclo[4.2.1.03,7]nonane-7-carboxylate
Basic information
- CAS
85960-74-3- Standard SMILES
COC(=O)C12CC3(C)OC1(C)OC(=O)C2(Cc1ccccc1)N3C(C)=O- InChIKey
PKEFXYCLUPEOGI-UHFFFAOYSA-N- Molecular formula
- C19H21NO6
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13688739
Names & identifiers
- Preferred name
- Methyl 9-acetyl-6-benzyl-1,3-dimethyl-5-oxo-2,4-dioxa-9-azatricyclo[4.2.1.03,7]nonane-7-carboxylate
- IUPAC
- methyl 9-acetyl-6-benzyl-1,3-dimethyl-5-oxo-2,4-dioxa-9-azatricyclo[4.2.1.03,7]nonane-7-carboxylate
Names & synonyms
NSC37783685960-74-3DTXSID70331156NSC-377836methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylateMethyl 1-acetyl-6a-benzyl-2,4-dimethyl-6-oxotetrahydro-1H-2,4-epoxyfuro[3,4-b]pyrrole-3a(4H)-carboxylateMethyl 1-acetyl-6a-benzyl-2,4-dimethyl-6-oxotetrahydro-1H-2,4-epoxyfuro[3,4-b]pyrrole-3a-carboxylate
Database identifiers
- CAS
85960-74-3- PubChem CID
- 435864
- DTXSID
DTXSID70331156
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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