14-(Dichloromethylidene)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde
Basic information
- CAS
75767-41-8- Standard SMILES
COc1ccc2c(c1OC)C(=C(Cl)Cl)N1CCc3cc4c(cc3C1=C2C=O)OCO4- InChIKey
IJHFOZDRHGKZTQ-UHFFFAOYSA-N- Molecular formula
- C22H17Cl2NO5
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.048378
Names & identifiers
- Preferred name
- 14-(Dichloromethylidene)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde
- IUPAC
- 14-(dichloromethylidene)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde
Names & synonyms
NSC35609875767-41-8DTXSID90320188NSC-356098dichloromethylene(dimethoxy)[?]carbaldehyde8-(Dichloromethylene)-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-13-carbaldehyde8-(Dichloromethylidene)-9,10-dimethoxy-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-13-carbaldehyde
Database identifiers
- CAS
75767-41-8- PubChem CID
- 337547
- DTXSID
DTXSID90320188
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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