Methyl 17,18-dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylate
Basic information
- CAS
60734-42-1- Standard SMILES
COC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3cc4c(cc3C12)OCO4- InChIKey
HPTPTUZAMJLCMK-UHFFFAOYSA-N- Molecular formula
- C22H21NO7
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.13180201
Names & identifiers
- Preferred name
- Methyl 17,18-dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylate
- IUPAC
- methyl 17,18-dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene-21-carboxylate
Names & synonyms
60734-42-1NSC276356DTXSID50976206NSC276355NSC-276355NSC-27635660734-43-2Methyl 10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-13-carboxylate
Database identifiers
- CAS
60734-42-1、60734-43-2- PubChem CID
- 321864
- DTXSID
DTXSID50976206
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 686
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Related reactions
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Compound notes
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