Basic information
- Standard SMILES
COc1cc(CNC(=O)C=Cc2c(C#N)c3c(C)cc(C)nc3n2C2CCCc3ccccc32)ccc1O- InChIKey
WFNJEBZDMXQHTN-UHFFFAOYSA-N- Molecular formula
- C31H30N4O3
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.23179083
Names & identifiers
- IUPAC
- 3-[3-cyano-4,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
Database identifiers
- PubChem CID
- 77597080
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 901
Related reactions
1 records
Compound notes
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