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
- Formal charge
- 0
- Complexity
- 775
Related reactions
17 records
Compound notes
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