4-(5-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-2-tert-butylindolin-1-yl)butanoic acid

HCID 59129481

Basic information

Standard SMILES
CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2N1CCCC(=O)O
InChIKey
HQXWFZODKNUYKI-UHFFFAOYSA-N
Molecular formula
C27H32N2O5
Average molar mass
464.6 g/mol

Names & identifiers

Preferred name
4-(5-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-2-tert-butylindolin-1-yl)butanoic acid
IUPAC
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-2,3-dihydroindol-1-yl]butanoic acid

Names & synonyms

SCHEMBL1465309HQXWFZODKNUYKI-UHFFFAOYSA-N4-(5-(1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-2-tert-butyl indolin-1-yl)butanoic acid4-(5-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-2-tert-butylindolin-1-yl)butanoic acid

Database identifiers

PubChem CID
59129481

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
88.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
34

Related reactions

17 records

Compound notes

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