Basic information
- Standard SMILES
COCCOc1nc(OCC(F)(F)F)c(C#N)c(N2CCc3ccccc3CC2)n1- InChIKey
IZQOOTPAJCXYNC-UHFFFAOYSA-N- Molecular formula
- C20H21F3N4O3
- Average molar mass
- 422.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methoxyethoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
- IUPAC
- 2-(2-methoxyethoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6954057IZQOOTPAJCXYNC-UHFFFAOYSA-N2-(2-methoxyethoxy)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 22004081
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Related reactions
1 records
Linked notes
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