tert-Butyl 7-(2-oxo-4-(5-(trifluoromethyl)pyridin-2-yl)pyridin-1(2H)-yl)-9-tosyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2c3c(c4ccc(-n5ccc(-c6ccc(C(F)(F)F)cn6)cc5=O)cc42)CCN(C(=O)OC(C)(C)C)C3)cc1- InChIKey
XLXJTPNHRMLRKJ-UHFFFAOYSA-N- Molecular formula
- C34H31F3N4O5S
- Average molar mass
- 664.7 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 7-(2-oxo-4-(5-(trifluoromethyl)pyridin-2-yl)pyridin-1(2H)-yl)-9-tosyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
- IUPAC
- tert-butyl 9-(4-methylphenyl)sulfonyl-7-[2-oxo-4-[5-(trifluoromethyl)-2-pyridinyl]-1-pyridinyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
Names & synonyms
tert-Butyl 7-(2-oxo-4-(5-(trifluoromethyl)pyridin-2-yl)pyridin-1(2H)-yl)-9-tosyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylateSCHEMBL12980127
Database identifiers
- PubChem CID
- 57950445
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,360
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Related reactions
1 records
Compound notes
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