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Basic information
- Standard SMILES
Cc1ccc(NC(=O)CC(CC(=O)O)c2noc(C3CC(CC(C)C)C3)c2C2CC2)c(Cl)c1- InChIKey
PNHNAYPNWQHBLI-UHFFFAOYSA-N- Molecular formula
- C26H33ClN2O4
- Average molar mass
- 473 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chloro-4-methylphenylcarbamoyl)-3-[4-cyclopropyl-5-(3-isobutylcyclobutyl)isoxazol-3-yl]butanoic acid
- IUPAC
- 5-(2-chloro-4-methylanilino)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-oxopentanoic acid
Names & synonyms
SCHEMBL14243693PNHNAYPNWQHBLI-UHFFFAOYSA-N4-(2-Chloro-4-methylphenylcarbamoyl)-3-[4-cyclopropyl-5-(3-isobutylcyclobutyl)isoxazol-3-yl]butanoic acid
Database identifiers
- PubChem CID
- 71114751
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 694
Related reactions
2 records
Compound notes
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