Basic information
- Standard SMILES
CNC(=O)[C@@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CCCCN2C)C(C)(C)C- InChIKey
QWYNYXGHLUJYBM-LJQANCHMSA-N- Molecular formula
- C22H29F2N5O2
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine-1(4H)-carboxamide
- IUPAC
- 3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine-1-carboxamide
Names & synonyms
SCHEMBL1337471QWYNYXGHLUJYBM-LJQANCHMSA-N(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepine-1(4H)-carboxamide
Database identifiers
- PubChem CID
- 59345359
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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