Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-n4nccn4)ccc31)C2- InChIKey
HOGRVCPPOPXTJP-UHFFFAOYSA-N- Molecular formula
- C23H31N5O2
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
- IUPAC
- tert-butyl 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
Database identifiers
- PubChem CID
- 77286772
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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