Tert-butyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate

HCID 57733033
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Basic information

Standard SMILES
CC(C)(C)OC(=O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1
InChIKey
LZHMVKCBAKABLH-UHFFFAOYSA-N
Molecular formula
C31H26F2N2O5
Average molar mass
544.5 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate
IUPAC
tert-butyl 3-[3-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]isoquinolin-1-yl]benzoate

Names & synonyms

tert-butyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoateSCHEMBL3261971

Database identifiers

PubChem CID
57733033

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
86.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
40

Related reactions

6 records
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Compound notes

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