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(17Z)-4,6-ditert-butyl-1,21-dimethyl-23-[3-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium-1-yl)propyl]-1lambda5-chlora-2,25,27,29-tetraoxa-10,17-diazoniahexacyclo[15.12.0.01,10.03,8.011,16.019,24]nonacosa-3(8),4,6,9,17,19(24),20,22-octaen-28-one

HCID 145594530
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
No structure available

Basic information

InChIKey
OAYOSYZOCXPXAJ-KQJZZRHUSA-N
Molecular formula
C44H64ClN4O5+3
Average molar mass
764.5 g/mol

Names & identifiers

Preferred name
(17Z)-4,6-ditert-butyl-1,21-dimethyl-23-[3-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium-1-yl)propyl]-1lambda5-chlora-2,25,27,29-tetraoxa-10,17-diazoniahexacyclo[15.12.0.01,10.03,8.011,16.019,24]nonacosa-3(8),4,6,9,17,19(24),20,22-octaen-28-one
IUPAC
(17Z)-4,6-ditert-butyl-1,21-dimethyl-23-[3-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium-1-yl)propyl]-1λ5-chlora-2,25,27,29-tetraoxa-10,17-diazoniahexacyclo[15.12.0.01,10.03,8.011,16.019,24]nonacosa-3(8),4,6,9,17,19(24),20,22-octaen-28-one

Database identifiers

PubChem CID
145594530

Properties

Computed structural propertiesFilling in

XLogP
9.4
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
54
Formal charge
3
Complexity
1,530

Related reactions

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Compound notes

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