Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CN(C(=O)OC(C)(C)C)CC2- InChIKey
USOZGZUQCHZYAX-UHFFFAOYSA-N- Molecular formula
- C29H28F3N3O3
- Average molar mass
- 523.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 5-methyl-7-(2-oxo-4-(4-(trifluoromethyl)phenyl)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
- IUPAC
- tert-butyl 5-methyl-7-[2-oxo-4-[4-(trifluoromethyl)phenyl]-1-pyridinyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
Names & synonyms
tert-Butyl 5-methyl-7-(2-oxo-4-(4-(trifluoromethyl)phenyl)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylateSCHEMBL12978631
Database identifiers
- PubChem CID
- 57950240
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 980
Related reactions
4 records
Compound notes
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