Basic information
- Standard SMILES
CCCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C3(C(=O)OC)CCCC3)C4)cc2)cc1- InChIKey
BNKGAHPMATVWNO-UHFFFAOYSA-N- Molecular formula
- C33H36N2O4
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.26750763
Names & identifiers
- Preferred name
- Methyl 1-(1-oxo-6-(4-(4-pentylbenzamido)phenyl)isoindolin-2-yl)cyclopentane carboxylate
- IUPAC
- methyl 1-[3-oxo-5-[4-[(4-pentylbenzoyl)amino]phenyl]-1H-isoindol-2-yl]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL2179294BNKGAHPMATVWNO-UHFFFAOYSA-NMethyl 1-(1-oxo-6-(4-(4-pentylbenzamido)phenyl)isoindolin-2-yl)cyclopentane carboxylate
Database identifiers
- PubChem CID
- 67306702
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 852
Related reactions
2 records
Compound notes
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