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16,17-Dimethoxy-14-(trichloromethyl)-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

HCID 337546
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Basic information

CAS
75767-39-4
Standard SMILES
COc1ccc2c(c1OC)C(C(Cl)(Cl)Cl)N1CCc3cc4c(cc3C1=C2C=O)OCO4
InChIKey
SKLGUSDGDGKUHE-UHFFFAOYSA-N
Molecular formula
C22H18Cl3NO5
Average molar mass
482.7 g/mol
Monoisotopic mass
481.025056

Names & identifiers

Preferred name
16,17-Dimethoxy-14-(trichloromethyl)-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
16,17-dimethoxy-14-(trichloromethyl)-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

NSC35609775767-39-4DTXSID30320187NSC-356097dimethoxy(trichloromethyl)[?]carbaldehyde9,10-Dimethoxy-8-(trichloromethyl)-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-13-carbaldehyde9,10-Dimethoxy-8-(trichloromethyl)-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-13-carbaldehyde

Database identifiers

CAS
75767-39-4
PubChem CID
337546
DTXSID
DTXSID30320187

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
57.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Formal charge
0
Complexity
743

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