Basic information
- Standard SMILES
CCC1CN=C2[C@H](NC(=O)OC(C)(C)C)CC[C@@H](c3cccc(F)c3F)CN21- InChIKey
FFVVMCXLHQBYSF-SNVMCYLTSA-N- Molecular formula
- C21H29F2N3O2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.2227835
Names & identifiers
- Preferred name
- tert-butyl [(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-9-yl]carbamate
- IUPAC
- tert-butyl N-[(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-9-yl]carbamate
Names & synonyms
SCHEMBL12658034FFVVMCXLHQBYSF-SNVMCYLTSA-Ntert-butyl [(6S,9R)-6-(2,3-difluorophenyl)-3-ethyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-9-yl]carbamate
Database identifiers
- PubChem CID
- 59025462
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
1 records
Compound notes
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