7-{2-[4-(5-Bromo-pyridin-2-ylmethoxy)-6-oxo-6H-pyridazin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

HCID 67007484
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCc2ccc(CCn3ncc(OCc4ccc(Br)cn4)cc3=O)cc2C1
InChIKey
WISWWDMZMBUPPI-UHFFFAOYSA-N
Molecular formula
C26H29BrN4O4
Average molar mass
541.4 g/mol
Monoisotopic mass
540.13722

Names & identifiers

Preferred name
7-{2-[4-(5-Bromo-pyridin-2-ylmethoxy)-6-oxo-6H-pyridazin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 7-[2-[4-[(5-bromo-2-pyridinyl)methoxy]-6-oxopyridazin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL1367079WISWWDMZMBUPPI-UHFFFAOYSA-N7-{2-[4-(5-Bromo-pyridin-2-ylmethoxy)-6-oxo-6H-pyridazin-1-yl]-ethyl}-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67007484

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
84.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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