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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCCCN(Cc2cccnc2)C1=O- InChIKey
HKTCPOKDZHPVRR-AWEZNQCLSA-N- Molecular formula
- C17H25N3O3
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 2-oxo-1-(pyridin-3-ylmethyl)azepan-3-ylcarbamate
- IUPAC
- tert-butyl N-[(3S)-2-oxo-1-(pyridin-3-ylmethyl)azepan-3-yl]carbamate
Names & synonyms
SCHEMBL12525774HKTCPOKDZHPVRR-AWEZNQCLSA-N(S)-tert-butyl 2-oxo-1-(pyridin-3-ylmethyl)azepan-3-ylcarbamate
Database identifiers
- PubChem CID
- 68309880
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Related reactions
2 records
Compound notes
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