Basic information
- Standard SMILES
CC(C)(C)N1CCN(CC#Cc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)C1=O- InChIKey
SXTJTMHWGCXOSS-UHFFFAOYSA-N- Molecular formula
- C22H25ClF3N3O2
- Average molar mass
- 455.9 g/mol
Names & identifiers
- Preferred name
- 6-[3-(3-tert-butyl-2-oxo-imidazolidin-1-yl)-prop-1-ynyl]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-tert-butyl-3-[3-[7-chloro-3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-6-yl]prop-2-ynyl]imidazolidin-2-one
Names & synonyms
6-[3-(3-tert-butyl-2-oxo-imidazolidin-1-yl)-prop-1-ynyl]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL2368626
Database identifiers
- PubChem CID
- 86629664
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 767
Related reactions
3 records
Compound notes
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