Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CN(C(=O)OC(C)(C)C)CCC2- InChIKey
MXQGXMNPACWBEU-UHFFFAOYSA-N- Molecular formula
- C28H28F3N5O3
- Average molar mass
- 539.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 10-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyridin-1(2H)-yl)-7,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[3,2-c]azepine-6(5H)-carboxylate
- IUPAC
- tert-butyl 8-methyl-5-[2-oxo-4-[6-(trifluoromethyl)-3-pyridinyl]-1-pyridinyl]-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-13-carboxylate
Names & synonyms
tert-Butyl 10-methyl-2-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyridin-1(2H)-yl)-7,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[3,2-c]azepine-6(5H)-carboxylateSCHEMBL12949594
Database identifiers
- PubChem CID
- 70805147
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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