Basic information
- Standard SMILES
CC(C)OC(=O)C1=C(NC2CCCCC2)OC(=Cc2c[nH]c3ncccc23)C1=O- InChIKey
HVOLDEWHMOJLTC-UHFFFAOYSA-N- Molecular formula
- C22H25N3O4
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.18450629
Names & identifiers
- IUPAC
- propan-2-yl 2-(cyclohexylamino)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carboxylate
Database identifiers
- PubChem CID
- 77927320
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 709
Related reactions
1 records
Compound notes
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