Basic information
- Standard SMILES
N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(c2ccncc2)C1=O- InChIKey
LYFBHVVFEAKHKJ-IAQYHMDHSA-N- Molecular formula
- C17H17F2N3O
- Average molar mass
- 317.33 g/mol
Names & identifiers
- Preferred name
- (3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-pyridin-4-ylazepan-2-one
- IUPAC
- (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-pyridin-4-ylazepan-2-one
Names & synonyms
SCHEMBL1197477LYFBHVVFEAKHKJ-IAQYHMDHSA-N(3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-pyridin-4-ylazepan-2-one
Database identifiers
- PubChem CID
- 60037853
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
12 records
Compound notes
Loading…