Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCN(C(=O)OC(C)(C)C)C2- InChIKey
SQWBGVMNDWHMPM-UHFFFAOYSA-N- Molecular formula
- C29H29F3N4O4
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 9-methyl-7-(2-oxo-4-((6-(trifluoromethyl)pyridin-3-yl)methoxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
- IUPAC
- tert-butyl 9-methyl-7-[2-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-pyridinyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
Names & synonyms
tert-Butyl 9-methyl-7-(2-oxo-4-((6-(trifluoromethyl)pyridin-3-yl)methoxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylateSCHEMBL11424609
Database identifiers
- PubChem CID
- 57950307
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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