Basic information
- Standard SMILES
CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1- InChIKey
WDUNYEDVEYEPHJ-ZYLNGJIFSA-N- Molecular formula
- C29H31N5O3
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- N-((1S)-1-{[(1S,4S)-5-(1H-indol-2-ylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-2,2-dimethylpropyl)-1H-indole-2-carboxamide
- IUPAC
- N-[(2S)-1-[(1S,4S)-5-(1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
Names & synonyms
SCHEMBL1931303WDUNYEDVEYEPHJ-ZYLNGJIFSA-NN-((1S)-1-{[(1S,4S)-5-(1H-indol-2-ylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]carbonyl}-2,2-dimethylpropyl)-1H-indole-2-carboxamide
Database identifiers
- PubChem CID
- 44599031
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 918
Related reactions
1 records
Compound notes
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