tert-butyl 13-(3,4-dimethoxyphenyl)-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-triene-4-carboxylate

HCID 178488397
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Basic information

Standard SMILES
COc1ccc(-c2cc3c4c(c2)C2CN(C(=O)OC(C)(C)C)CCC2N4CC3)cc1OC
InChIKey
ZGROSEUWKQKLHH-UHFFFAOYSA-N
Molecular formula
C26H32N2O4
Average molar mass
436.5 g/mol
Monoisotopic mass
436.23620751

Names & identifiers

IUPAC
tert-butyl 13-(3,4-dimethoxyphenyl)-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-triene-4-carboxylate

Database identifiers

PubChem CID
22021764

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
51.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32

Related reactions

1 records
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Compound notes

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