1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(hydroxymethyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamide

HCID 57733015
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Basic information

Standard SMILES
O=C(Nc1cc2ccccc2c(-c2ccc(CO)cc2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIKey
SXNAEAHUSXZJKQ-UHFFFAOYSA-N
Molecular formula
C27H20F2N2O4
Average molar mass
474.5 g/mol

Names & identifiers

Preferred name
1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(hydroxymethyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamide
IUPAC
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[4-(hydroxymethyl)phenyl]isoquinolin-3-yl]cyclopropane-1-carboxamide

Names & synonyms

1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(4-(hydroxymethyl)phenyl)isoquinolin-3-yl)cyclopropanecarboxamideSCHEMBL4173401

Database identifiers

PubChem CID
57733015

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
80.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
35

Related reactions

4 records
New reaction record

Linked notes

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