Basic information
- CAS
197585-44-7- Standard SMILES
COC(=O)N1CCC(c2nc3cc4c(cc3[nH]2)CCN(C(=O)C(F)(F)F)CC4)CC1- InChIKey
KTOLDSLBUWIYDY-UHFFFAOYSA-N- Molecular formula
- C20H23F3N4O3
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.17222509
Names & identifiers
- Preferred name
- Methyl 4-[1,5,6,7,8,9-hexahydro-7-(2,2,2-trifluoroacetyl)imidazo[4,5-h][3]benzazepin-2-yl]-1-piperidinecarboxylate
- IUPAC
- methyl 4-[7-(2,2,2-trifluoroacetyl)-5,6,8,9-tetrahydro-1H-imidazo[4,5-h][3]benzazepin-2-yl]piperidine-1-carboxylate
Names & synonyms
DTXSID601106914197585-44-7Methyl 4-[1,5,6,7,8,9-hexahydro-7-(2,2,2-trifluoroacetyl)imidazo[4,5-h][3]benzazepin-2-yl]-1-piperidinecarboxylate
Database identifiers
- CAS
197585-44-7- PubChem CID
- 165367271
- DTXSID
DTXSID601106914
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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